data_1tkq_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 1tkq _Structure_validation_residue.Date_analyzed 2017-03-24 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 ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -135.7 124.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.759 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -108.46 145.63 34.38 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.019 1.736 . . . . 0.0 108.765 173.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.03 163.18 33.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 121.176 1.807 . . . . 0.0 114.113 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -123.33 163.62 20.4 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.59 1.541 . . . . 0.0 112.133 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 . . . . . 0 C--N 1.353 0.758 0 CA-C-N 120.652 1.569 . . . . 0.0 108.587 -179.041 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 104.994 -2.225 . . . . 0.0 104.994 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.34 -162.45 31.2 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 118.584 -1.77 . . . . 0.0 115.439 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.07 39.79 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 171.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.93 122.32 20.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.76 137.04 39.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.1 150.89 48.31 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 118.756 0.707 . . . . 0.0 111.087 -170.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -116.03 150.74 36.77 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.875 1.67 . . . . 0.0 114.786 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -109.18 81.74 1.49 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.582 1.537 . . . . 0.0 110.81 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 . . . . . 0 CA--C 1.507 -0.679 0 CA-C-N 121.26 1.845 . . . . 0.0 108.61 -175.034 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -135.7 124.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.759 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -108.46 145.63 34.38 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.019 1.736 . . . . 0.0 108.765 173.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.03 163.18 33.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 121.176 1.807 . . . . 0.0 114.113 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DLE . . . . . 0.475 ' C ' HD13 ' A' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -123.33 163.62 20.4 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.59 1.541 . . . . 0.0 112.133 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 . . . . . 0 C--N 1.353 0.758 0 CA-C-N 120.652 1.569 . . . . 0.0 108.587 -179.041 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 104.994 -2.225 . . . . 0.0 104.994 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.34 -162.45 31.2 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 118.584 -1.77 . . . . 0.0 115.439 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.07 39.79 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 171.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.93 122.32 20.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.76 137.04 39.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.1 150.89 48.31 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 118.756 0.707 . . . . 0.0 111.087 -170.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -116.03 150.74 36.77 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.875 1.67 . . . . 0.0 114.786 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -109.18 81.74 1.49 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.582 1.537 . . . . 0.0 110.81 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 . . . . . 0 CA--C 1.507 -0.679 0 CA-C-N 121.26 1.845 . . . . 0.0 108.61 -175.034 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.465 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -135.7 124.18 38.36 Favored 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.759 174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -108.46 145.63 34.38 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.019 1.736 . . . . 0.0 108.765 173.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -141.03 163.18 33.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 121.176 1.807 . . . . 0.0 114.113 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DLE . . . . . 0.475 ' C ' HD13 ' A' ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.0 m0 -123.33 163.62 20.4 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 120.59 1.541 . . . . 0.0 112.133 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 . . . . . 0 C--N 1.353 0.758 0 CA-C-N 120.652 1.569 . . . . 0.0 108.587 -179.041 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 CA--C 1.515 -0.373 0 N-CA-C 104.994 -2.225 . . . . 0.0 104.994 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 176.34 -162.45 31.2 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 118.584 -1.77 . . . . 0.0 115.439 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.32 121.07 39.79 Favored 'General case' 0 C--N 1.353 0.756 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 171.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.93 122.32 20.6 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.953 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 9.8 t -139.76 137.04 39.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -137.1 150.89 48.31 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 118.756 0.707 . . . . 0.0 111.087 -170.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -116.03 150.74 36.77 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 120.875 1.67 . . . . 0.0 114.786 -168.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -109.18 81.74 1.49 Allowed 'General case' 0 C--N 1.353 0.727 0 CA-C-N 120.582 1.537 . . . . 0.0 110.81 -173.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 . . . . . 0 CA--C 1.507 -0.679 0 CA-C-N 121.26 1.845 . . . . 0.0 108.61 -175.034 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 0' ' ' SIN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_