data_1nt6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1nt6 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.91 -144.17 16.99 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.783 1.183 . . . . 0.0 113.504 170.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.66 101.43 13.97 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.738 1.215 . . . . 0.0 111.871 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.05 164.38 34.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.972 0.909 . . . . 0.0 112.28 172.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -112.83 129.86 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.521 1.128 . . . . 0.0 109.808 167.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -125.36 133.24 52.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.237 1.815 . . . . 0.0 111.382 -174.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -110.77 114.57 28.03 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.764 1.226 . . . . 0.0 111.431 -168.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 m-90 -100.2 155.82 17.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.923 1.289 . . . . 0.0 112.918 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -146.14 173.17 12.44 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.783 1.233 . . . . 0.0 112.628 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' QPH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.82 -144.18 17.0 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.773 1.178 . . . . 0.0 113.595 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.64 101.47 14.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.735 1.214 . . . . 0.0 111.861 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.05 164.32 34.97 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.03 0.932 . . . . 0.0 112.286 172.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.5 m -112.85 129.92 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.124 . . . . 0.0 109.796 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -125.31 133.31 52.67 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.245 1.818 . . . . 0.0 111.338 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -110.71 114.55 28.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.79 1.236 . . . . 0.0 111.432 -168.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -100.22 155.8 17.56 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.945 1.298 . . . . 0.0 112.924 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -146.17 173.13 12.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.778 1.231 . . . . 0.0 112.678 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' QPH . . . . . 0.439 ' HB2' ' HB3' ' B' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.91 -144.17 16.99 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.783 1.183 . . . . 0.0 113.504 170.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.66 101.43 13.97 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.738 1.215 . . . . 0.0 111.871 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' B' ' 1' ' ' QPH . . . -149.05 164.38 34.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.972 0.909 . . . . 0.0 112.28 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -112.83 129.86 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.521 1.128 . . . . 0.0 109.808 167.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -125.36 133.24 52.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.237 1.815 . . . . 0.0 111.382 -174.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -110.77 114.57 28.03 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.764 1.226 . . . . 0.0 111.431 -168.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 m-90 -100.2 155.82 17.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.923 1.289 . . . . 0.0 112.918 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -146.14 173.17 12.44 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.783 1.233 . . . . 0.0 112.628 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' QPH . . . . . 0.429 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.82 -144.18 17.0 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.773 1.178 . . . . 0.0 113.595 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.64 101.47 14.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.735 1.214 . . . . 0.0 111.861 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 1' ' ' QPH . . . -149.05 164.32 34.97 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.03 0.932 . . . . 0.0 112.286 172.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.5 m -112.85 129.92 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.124 . . . . 0.0 109.796 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -125.31 133.31 52.67 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.245 1.818 . . . . 0.0 111.338 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -110.71 114.55 28.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.79 1.236 . . . . 0.0 111.432 -168.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -100.22 155.8 17.56 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.945 1.298 . . . . 0.0 112.924 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -146.17 173.13 12.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.778 1.231 . . . . 0.0 112.678 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' QPH . . . . . 0.439 ' HB2' ' HB3' ' B' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.91 -144.17 16.99 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.783 1.183 . . . . 0.0 113.504 170.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.66 101.43 13.97 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.738 1.215 . . . . 0.0 111.871 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' B' ' 1' ' ' QPH . . . -149.05 164.38 34.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.972 0.909 . . . . 0.0 112.28 172.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 m -112.83 129.86 67.7 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 C-N-CA 124.521 1.128 . . . . 0.0 109.808 167.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -125.36 133.24 52.62 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.237 1.815 . . . . 0.0 111.382 -174.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -110.77 114.57 28.03 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.764 1.226 . . . . 0.0 111.431 -168.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 m-90 -100.2 155.82 17.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.923 1.289 . . . . 0.0 112.918 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -146.14 173.17 12.44 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.783 1.233 . . . . 0.0 112.628 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' QPH . . . . . 0.429 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.82 -144.18 17.0 Favored Glycine 0 CA--C 1.536 1.365 0 C-N-CA 124.773 1.178 . . . . 0.0 113.595 170.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.64 101.47 14.01 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.735 1.214 . . . . 0.0 111.861 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 1' ' ' QPH . . . -149.05 164.32 34.97 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.03 0.932 . . . . 0.0 112.286 172.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 18.5 m -112.85 129.92 67.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 C-N-CA 124.509 1.124 . . . . 0.0 109.796 167.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -125.31 133.31 52.67 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.245 1.818 . . . . 0.0 111.338 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -110.71 114.55 28.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.79 1.236 . . . . 0.0 111.432 -168.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 17.3 m-90 -100.22 155.8 17.56 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.945 1.298 . . . . 0.0 112.924 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 13.6 m-90 -146.17 173.13 12.49 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.778 1.231 . . . . 0.0 112.678 -172.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_