data_6n8c_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6n8c _Structure_validation_residue.Date_analyzed 2019-02-08 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 ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 95.1 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' B' ' 15' ' ' SER . 94.4 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.2 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' C' ' 15' ' ' SER . 75.2 m -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' C' ' 12' ' ' SER . 95.1 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' B' ' 15' ' ' SER . 48.2 t -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.1 p -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' C' ' 9' ' ' ALA . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 69.1 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.1 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 69.2 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' B' ' 15' ' ' SER . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.5 p -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' B' ' 15' ' ' SER . 75.3 m -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 12' ' ' SER . 96.2 p -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' C' ' 9' ' ' ALA . 90.3 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.433 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.7 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.8 p -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.3 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' D' ' 15' ' ' SER . 48.3 t -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' D' ' 12' ' ' SER . 95.7 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.416 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' D' ' 15' ' ' SER . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' D' ' 12' ' ' SER . 95.2 p -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.406 ' CD2' ' HE3' ' B' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 99.5 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.406 ' HE3' ' CD2' ' B' ' 10' ' ' PHE . 85.8 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' C' ' 9' ' ' ALA . 96.2 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.433 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . 0.405 ' CD2' ' HE3' ' D' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.4 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . 0.405 ' HE3' ' CD2' ' D' ' 10' ' ' PHE . 86.7 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 94.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 89.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 94.9 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 95.1 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' C' ' 15' ' ' SER . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 67.9 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' C' ' 12' ' ' SER . 95.6 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.3 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' D' ' 12' ' ' SER . 95.7 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 95.1 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' B' ' 15' ' ' SER . 94.4 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.2 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' C' ' 15' ' ' SER . 75.2 m -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' C' ' 12' ' ' SER . 95.1 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.434 ' O ' ' OG ' ' B' ' 15' ' ' SER . 48.2 t -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.1 p -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' C' ' 9' ' ' ALA . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.41 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 69.1 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.413 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.1 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 69.2 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.425 ' O ' ' OG ' ' B' ' 15' ' ' SER . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.5 p -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.42 ' O ' ' OG ' ' B' ' 15' ' ' SER . 75.3 m -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 12' ' ' SER . 96.2 p -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.414 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' C' ' 9' ' ' ALA . 90.3 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' D' ' 5' ' ' LYS . 86.8 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . 0.414 ' HB2' ' HB ' ' D' ' 2' ' ' THR . 0.4 OUTLIER -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.433 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.7 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.427 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.8 p -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' B' ' 12' ' ' SER . 95.3 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' D' ' 15' ' ' SER . 48.3 t -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' D' ' 12' ' ' SER . 95.7 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.416 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.43 ' O ' ' OG ' ' D' ' 15' ' ' SER . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 67.3 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' D' ' 12' ' ' SER . 95.2 p -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.425 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.406 ' CD2' ' HE3' ' B' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 99.5 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.406 ' HE3' ' CD2' ' B' ' 10' ' ' PHE . 85.8 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' C' ' 12' ' ' SER . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' C' ' 9' ' ' ALA . 96.2 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.433 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . 0.405 ' CD2' ' HE3' ' D' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.4 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . 0.405 ' HE3' ' CD2' ' D' ' 10' ' ' PHE . 86.7 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 94.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' B' ' 12' ' ' SER . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 89.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 94.9 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' OG ' ' A' ' 12' ' ' SER . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 9' ' ' ALA . 95.1 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 67.8 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' C' ' 15' ' ' SER . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 67.9 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' C' ' 12' ' ' SER . 95.6 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ALA . . . . . 0.432 ' O ' ' OG ' ' D' ' 12' ' ' SER . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' D' ' 9' ' ' ALA . 95.3 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' D' ' 12' ' ' SER . 95.7 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 tm0? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.552 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' B' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 94.4 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' D' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' C' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' PHE . . . . . 0.497 ' HD2' ' HZ1' ' D' ' 5' ' ' LYS . 1.4 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' LYS . . . . . 0.497 ' HZ1' ' HD2' ' C' ' 16' ' ' PHE . 0.9 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HA ' HD21 ' B' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' B' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 3' ' ' LEU . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.439 ' HA ' HD21 ' A' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 6' ' ' LEU . 69.1 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.45 ' HA ' HD21 ' D' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' D' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD21 ' C' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' C' ' 6' ' ' LEU . 69.2 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' B' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.5 p -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' D' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' D' ' 3' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' HB1' ' C' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HD11 ' B' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.528 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' CB ' ' B' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.525 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' D' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.53 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' D' ' 9' ' ' ALA . 65.7 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.483 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.558 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' LEU . . . . . 0.53 HD22 ' CB ' ' C' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.435 ' CE ' HD22 ' C' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.55 ' O ' HD23 ' B' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.437 ' CE ' HD22 ' D' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.8 p -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.555 HD23 ' O ' ' C' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' MET . . . . . 0.436 ' CE ' HD22 ' A' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' D' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' MET . . . . . 0.426 ' CE ' HD22 ' B' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' B' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.474 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.437 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.476 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' D' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.471 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' C' ' 9' ' ' ALA . 67.3 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.444 ' N ' HD12 ' B' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CD2' ' HE3' ' B' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' B' ' 10' ' ' PHE . 85.8 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' LEU . . . . . 0.431 ' N ' HD12 ' C' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 3' ' ' LEU . . . . . 0.437 ' N ' HD12 ' D' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' PHE . . . . . 0.411 ' CD2' ' HE3' ' D' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.4 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' CD2' ' D' ' 10' ' ' PHE . 86.7 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD21 ' HG3' ' B' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' B' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' B' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.575 ' HG3' HD21 ' B' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.575 HD21 ' HG3' ' A' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 9' ' ' ALA . 67.8 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.584 ' HG3' HD21 ' A' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' D' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' D' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' D' ' 9' ' ' ALA . 67.9 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.569 ' HG3' HD21 ' D' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' C' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' ALA . . . . . 0.45 ' CB ' HD21 ' C' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' C' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' GLN . . . . . 0.588 ' HG3' HD21 ' C' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' B' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 94.4 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' D' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' C' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' PHE . . . . . 0.497 ' HD2' ' HZ1' ' D' ' 5' ' ' LYS . 1.4 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' LYS . . . . . 0.497 ' HZ1' ' HD2' ' C' ' 16' ' ' PHE . 0.9 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HA ' HD21 ' B' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' B' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 3' ' ' LEU . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.439 ' HA ' HD21 ' A' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 6' ' ' LEU . 69.1 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.45 ' HA ' HD21 ' D' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' D' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD21 ' C' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' C' ' 6' ' ' LEU . 69.2 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' B' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.5 p -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' D' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' D' ' 3' ' ' LEU . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' HB1' ' C' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HD11 ' B' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.528 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' CB ' ' B' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.525 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' D' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.53 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' D' ' 9' ' ' ALA . 65.7 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' D' ' 5' ' ' LYS . 86.8 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.483 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' LYS . . . . . 0.432 ' HB2' ' HB ' ' D' ' 2' ' ' THR . 0.4 OUTLIER -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.558 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' LEU . . . . . 0.53 HD22 ' CB ' ' C' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.608 ' HB3' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.608 ' OE1' ' HB3' ' A' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.435 ' CE ' HD22 ' C' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OE1' ' B' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.611 ' OE1' ' HB3' ' B' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.55 ' O ' HD23 ' B' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.437 ' CE ' HD22 ' D' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.8 p -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.597 ' HB3' ' OE1' ' C' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.597 ' OE1' ' HB3' ' C' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.555 HD23 ' O ' ' C' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' MET . . . . . 0.436 ' CE ' HD22 ' A' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OE1' ' D' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' GLU . . . . . 0.611 ' OE1' ' HB3' ' D' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' D' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' MET . . . . . 0.426 ' CE ' HD22 ' B' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' B' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.474 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.437 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.476 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' D' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.471 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' C' ' 9' ' ' ALA . 67.3 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.444 ' N ' HD12 ' B' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CD2' ' HE3' ' B' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' B' ' 10' ' ' PHE . 85.8 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' LEU . . . . . 0.431 ' N ' HD12 ' C' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' LEU . . . . . 0.437 ' N ' HD12 ' D' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' PHE . . . . . 0.411 ' CD2' ' HE3' ' D' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.4 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' CD2' ' D' ' 10' ' ' PHE . 86.7 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD21 ' HG3' ' B' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' B' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' B' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.575 ' HG3' HD21 ' B' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.575 HD21 ' HG3' ' A' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 9' ' ' ALA . 67.8 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.584 ' HG3' HD21 ' A' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' D' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' D' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' D' ' 9' ' ' ALA . 67.9 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.569 ' HG3' HD21 ' D' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' C' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ALA . . . . . 0.45 ' CB ' HD21 ' C' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' C' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' GLN . . . . . 0.588 ' HG3' HD21 ' C' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' B' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 94.4 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' D' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.798 0.333 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' C' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . 0.497 ' HD2' ' HZ1' ' D' ' 5' ' ' LYS . 1.4 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.807 0.337 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . 0.497 ' HZ1' ' HD2' ' C' ' 16' ' ' PHE . 0.9 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HA ' HD21 ' B' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' B' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 3' ' ' LEU . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.439 ' HA ' HD21 ' A' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 6' ' ' LEU . 69.1 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.45 ' HA ' HD21 ' D' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' D' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.778 0.323 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD21 ' C' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' C' ' 6' ' ' LEU . 69.2 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' B' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.5 p -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' D' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' D' ' 3' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.823 0.344 . . . . 0.0 110.528 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' HB1' ' C' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HD11 ' B' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.528 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' CB ' ' B' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.525 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' D' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.53 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' D' ' 9' ' ' ALA . 65.7 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.483 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.8 mp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.867 0.365 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.558 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . 0.53 HD22 ' CB ' ' C' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.435 ' CE ' HD22 ' C' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.55 ' O ' HD23 ' B' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.437 ' CE ' HD22 ' D' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.8 p -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.555 HD23 ' O ' ' C' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . 0.436 ' CE ' HD22 ' A' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.873 0.368 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' D' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . 0.426 ' CE ' HD22 ' B' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' B' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.474 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.437 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.476 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' D' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.471 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.2 mp . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.359 . . . . 0.0 110.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' C' ' 9' ' ' ALA . 67.3 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.444 ' N ' HD12 ' B' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CD2' ' HE3' ' B' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' B' ' 10' ' ' PHE . 85.8 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . 0.431 ' N ' HD12 ' C' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . 0.437 ' N ' HD12 ' D' ' 3' ' ' LEU . 7.4 mp . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.943 0.401 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . 0.411 ' CD2' ' HE3' ' D' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.4 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' CD2' ' D' ' 10' ' ' PHE . 86.7 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.832 0.349 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD21 ' HG3' ' B' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' B' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' B' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.575 ' HG3' HD21 ' B' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.575 HD21 ' HG3' ' A' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 9' ' ' ALA . 67.8 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.584 ' HG3' HD21 ' A' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' D' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' D' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' D' ' 9' ' ' ALA . 67.9 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.569 ' HG3' HD21 ' D' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' C' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' ALA . . . . . 0.45 ' CB ' HD21 ' C' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' C' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' GLN . . . . . 0.588 ' HG3' HD21 ' C' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' B' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.1 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.432 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 94.4 p -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.556 HD11 HD11 ' A' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.43 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' D' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 73.1 p -65.93 -39.46 90.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.493 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 85.7 mt -57.85 -46.9 84.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.522 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.84 -46.94 84.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.624 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -57.83 -47.06 83.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 65.7 tp -57.72 -47.0 83.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.54 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 23.9 mmt -57.81 -47.02 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -57.78 -46.96 83.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.81 -47.03 83.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -57.75 -47.0 83.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.583 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.05 83.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.8 -47.01 83.79 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.549 HD11 HD11 ' C' ' 13' ' ' LEU . 81.6 mt -57.85 -46.93 84.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.512 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -57.84 -47.01 83.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -46.98 83.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -57.86 -46.95 84.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.46 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.1 p -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . 0.497 ' HD2' ' HZ1' ' D' ' 5' ' ' LYS . 1.4 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -56.7 110.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.585 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 97.2 mt -57.88 -46.98 84.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.503 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -57.75 -47.03 83.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.649 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . 0.497 ' HZ1' ' HD2' ' C' ' 16' ' ' PHE . 0.9 OUTLIER -57.74 -47.09 83.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.95 83.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 11.0 tpt -57.72 -47.08 83.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.8 -46.85 84.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.681 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.95 84.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.581 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -57.81 -47.1 83.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.72 -47.04 83.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.505 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.0 p -57.71 -47.1 83.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.869 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.75 -47.04 83.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.494 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.76 -47.06 83.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.784 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.86 -46.87 84.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.583 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' HA ' HD21 ' B' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' B' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 3' ' ' LEU . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.439 ' HA ' HD21 ' A' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' ' 6' ' ' LEU . 69.1 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.45 ' HA ' HD21 ' D' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' D' ' 6' ' ' LEU . 67.0 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -58.48 113.89 2.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.548 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.86 -46.93 84.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.558 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -57.76 -47.02 83.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.658 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -57.74 -47.02 83.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.659 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.442 ' HA ' HD21 ' C' ' 13' ' ' LEU . 6.4 tt -57.81 -46.92 83.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.554 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 10.9 tpt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.577 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -57.78 -46.9 83.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.615 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.95 84.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.532 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.79 -47.05 83.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.81 -46.91 84.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.87 -47.05 83.86 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' C' ' 6' ' ' LEU . 69.2 tp -57.79 -47.03 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -57.74 -46.94 83.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.58 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -46.94 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.788 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.81 -47.0 83.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.475 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.557 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' B' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' B' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.449 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.449 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.5 p -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.444 ' HB1' ' CD1' ' D' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' D' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 7.1 p 46.61 90.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' D' ' 3' ' ' LEU . 87.0 mt -57.87 -46.98 84.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -47.11 83.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -57.69 -47.07 83.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 66.0 tp -57.81 -46.91 84.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.568 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.589 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -57.75 -46.99 83.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' C' ' 13' ' ' LEU . . . -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.54 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -57.79 -47.1 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.73 -47.03 83.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.4 t -57.72 -47.13 83.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.792 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.444 ' CD1' ' HB1' ' C' ' 9' ' ' ALA . 80.7 mt -57.8 -46.97 83.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.552 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.84 -46.93 84.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -47.01 83.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.83 -46.9 84.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.487 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.561 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HE3' HD11 ' B' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.528 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 t -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' CB ' ' B' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-30 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.478 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.525 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 96.2 p -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . 0.455 ' HE3' HD11 ' D' ' 13' ' ' LEU . 3.4 tmtm? -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.53 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 90.3 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.558 HD22 ' CB ' ' D' ' 9' ' ' ALA . 65.7 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' D' ' 5' ' ' LYS . 86.8 m -66.88 123.7 20.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.483 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.8 mp -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.82 -46.97 83.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.607 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . 0.432 ' HB2' ' HB ' ' D' ' 2' ' ' THR . 0.4 OUTLIER -57.87 -47.02 83.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.556 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.8 -46.95 83.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.6 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tpt -57.74 -47.09 83.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.543 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -57.73 -46.92 83.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.647 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.558 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.91 -46.95 84.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -57.79 -47.04 83.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.77 -46.99 83.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -57.77 -47.16 83.31 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.53 HD22 ' CB ' ' C' ' 9' ' ' ALA . 64.9 tp -57.72 -47.06 83.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.491 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -57.74 -47.04 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -46.98 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.745 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -57.86 -46.92 84.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.59 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.608 ' HB3' ' OE1' ' A' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.608 ' OE1' ' HB3' ' A' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.435 ' CE ' HD22 ' C' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.2 m -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OE1' ' B' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.611 ' OE1' ' HB3' ' B' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.55 ' O ' HD23 ' B' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.437 ' CE ' HD22 ' D' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 95.8 p -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 95.3 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.597 ' HB3' ' OE1' ' C' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.597 ' OE1' ' HB3' ' C' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.555 HD23 ' O ' ' C' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . 0.436 ' CE ' HD22 ' A' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . 0.611 ' HB3' ' OE1' ' D' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 71.0 p -61.41 -36.89 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.614 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.8 -46.96 83.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.572 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . 0.611 ' OE1' ' HB3' ' D' ' 1' ' ' ALA . 55.8 mp0 -57.8 -47.05 83.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.606 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 61.1 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.581 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.556 ' O ' HD23 ' D' ' 6' ' ' LEU . 4.0 tt -57.8 -46.88 84.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . 0.426 ' CE ' HD22 ' B' ' 6' ' ' LEU . 11.2 mmt -57.85 -46.95 84.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.616 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.81 -46.94 83.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.93 -46.86 84.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.527 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -57.85 -47.09 83.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.528 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -57.67 -47.01 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.521 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 48.3 t -57.84 -47.0 83.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.848 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.9 -46.87 84.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.569 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -57.89 -46.95 84.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.468 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.85 -46.92 84.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -57.91 -46.87 84.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.502 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 tp60 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.511 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.7 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' B' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.5 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' B' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.474 ' N ' HD12 ' B' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.437 ' CB ' HD22 ' A' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 9' ' ' ALA . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.476 ' N ' HD12 ' C' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' D' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.1 m -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' D' ' 9' ' ' ALA . 68.0 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 72.9 p -66.91 -40.36 87.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.513 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.471 ' N ' HD12 ' D' ' 3' ' ' LEU . 8.2 mp -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.581 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.78 -47.03 83.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.624 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.548 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.72 -46.96 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.572 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.4 tpt -57.8 -47.01 83.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -57.89 -46.85 84.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.44 ' CB ' HD22 ' C' ' 13' ' ' LEU . . . -57.88 -46.92 84.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.529 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -57.81 -47.1 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.64 -47.03 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.582 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.81 -47.1 83.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.438 HD22 ' CB ' ' C' ' 9' ' ' ALA . 67.3 tp -57.71 -47.1 83.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.501 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -57.69 -47.12 83.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.2 p -57.74 -46.97 83.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.814 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.83 -46.94 84.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.474 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.53 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.444 ' N ' HD12 ' B' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.41 ' CD2' ' HE3' ' B' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 99.5 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' B' ' 10' ' ' PHE . 85.8 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.431 ' N ' HD12 ' C' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 74.0 p -65.89 -41.45 91.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.534 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.437 ' N ' HD12 ' D' ' 3' ' ' LEU . 7.4 mp -57.77 -46.98 83.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -46.98 83.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.654 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 64.0 tp -57.74 -46.97 83.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.548 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.0 tpt -57.87 -46.93 84.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.542 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.82 -46.92 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.627 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.94 84.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . 0.411 ' CD2' ' HE3' ' D' ' 14' ' ' LYS . 0.4 OUTLIER -57.81 -47.06 83.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.555 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -57.71 -47.0 83.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.581 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.4 p -57.77 -47.04 83.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.922 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.539 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' CD2' ' D' ' 10' ' ' PHE . 86.7 mttt -57.85 -46.88 84.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.554 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.82 -47.06 83.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.766 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -57.81 -46.95 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.602 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 48.3 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . 0.416 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.2 m -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 65.5 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 48.4 t -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 70.9 p -65.08 -40.31 94.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.499 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 93.1 mt -57.89 -46.85 84.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.8 -47.1 83.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.611 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.7 -47.04 83.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.65 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.76 -47.04 83.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 18.2 tpt -57.69 -46.99 83.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -57.83 -46.96 83.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.93 84.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . 0.426 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 80.1 t80 -57.74 -46.96 83.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.652 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -57.81 -46.98 83.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.521 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 94.9 p -57.78 -47.09 83.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.818 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 65.6 tp -57.81 -47.01 83.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.489 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -57.72 -47.06 83.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.537 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.79 -47.02 83.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.795 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -57.85 -46.95 84.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.472 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.623 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 3' ' ' LEU . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD21 ' HG3' ' B' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.459 ' CB ' HD21 ' B' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' D' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.1 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD21 ' CB ' ' B' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.3 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.575 ' HG3' HD21 ' B' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.575 HD21 ' HG3' ' A' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' C' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.459 HD21 ' CB ' ' A' ' 9' ' ' ALA . 67.8 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 75.4 m -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.584 ' HG3' HD21 ' A' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.588 HD21 ' HG3' ' D' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ALA . . . . . 0.457 ' CB ' HD21 ' D' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' PHE . . . . . 0.411 ' CZ ' ' CZ ' ' B' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 75.3 m -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.45 HD21 ' CB ' ' D' ' 9' ' ' ALA . 67.9 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' SER . . . . . . . . . . . . . 95.6 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.569 ' HG3' HD21 ' D' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 72.3 p -66.57 -40.56 89.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 96.9 mt -57.86 -46.89 84.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.586 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -57.83 -46.99 83.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -57.82 -46.96 83.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' C' ' 17' ' ' GLN . 36.1 mt -57.82 -46.96 83.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.533 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' MET . . . . . . . . . . . . . 17.9 tpt -57.77 -47.03 83.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.55 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.76 -46.98 83.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ALA . . . . . 0.45 ' CB ' HD21 ' C' ' 13' ' ' LEU . . . -57.84 -46.89 84.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.568 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' PHE . . . . . 0.424 ' CZ ' ' CZ ' ' A' ' 10' ' ' PHE . 70.0 t80 -57.86 -47.06 83.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.534 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -57.75 -47.06 83.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 95.3 p -57.72 -47.08 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.893 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' C' ' 9' ' ' ALA . 67.7 tp -57.75 -47.01 83.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' LYS . . . . . . . . . . . . . 62.8 mmtt -57.73 -47.0 83.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' SER . . . . . . . . . . . . . 95.7 p -57.88 -47.01 84.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.752 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -57.84 -46.88 84.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' GLN . . . . . 0.588 ' HG3' HD21 ' C' ' 6' ' ' LEU . 22.2 tm0? . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.552 179.986 . . . . . . . . 1 1 . 1 stop_ save_