data_1mag_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 1mag _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' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.18 -134.07 3.52 Favored Glycine 0 CA--C 1.475 -2.412 0 C-N-CA 115.849 -3.072 . . . . 0.0 112.823 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 9' ' ' TRP . . . -109.73 148.62 31.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 117.312 0.556 . . . . 0.0 112.207 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.23 124.96 45.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -119.96 127.35 75.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 118.014 -1.475 . . . . 0.0 107.523 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.489 ' O ' ' HA ' ' A' ' 3' ' ' ALA . 14.1 m-90 -108.87 129.43 55.41 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 123.821 1.772 . . . . 0.0 111.123 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -109.09 151.51 26.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 127.355 3.455 . . . . 0.0 112.227 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -100.76 153.72 19.22 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 124.259 1.981 . . . . 0.0 111.284 173.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -107.26 129.0 54.93 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 123.752 1.739 . . . . 0.0 113.943 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.18 -134.07 3.52 Favored Glycine 0 CA--C 1.475 -2.412 0 C-N-CA 115.849 -3.072 . . . . 0.0 112.823 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 9' ' ' TRP . . . -109.73 148.62 31.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 117.312 0.556 . . . . 0.0 112.207 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.23 124.96 45.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -119.96 127.35 75.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 118.014 -1.475 . . . . 0.0 107.523 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.489 ' O ' ' HA ' ' B' ' 3' ' ' ALA . 14.1 m-90 -108.87 129.43 55.41 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 123.821 1.772 . . . . 0.0 111.123 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 -109.09 151.51 26.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 127.355 3.455 . . . . 0.0 112.227 176.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -100.76 153.72 19.22 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 124.259 1.981 . . . . 0.0 111.284 173.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -107.26 129.0 54.93 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 123.752 1.739 . . . . 0.0 113.943 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' FVA . . . . . 0.615 ' HN ' ' HN ' ' B' ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.18 -134.07 3.52 Favored Glycine 0 CA--C 1.475 -2.412 0 C-N-CA 115.849 -3.072 . . . . 0.0 112.823 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 9' ' ' TRP . . . -109.73 148.62 31.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 117.312 0.556 . . . . 0.0 112.207 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DLE . . . . . 0.622 HD13 ' CE3' ' A' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.23 124.96 45.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -119.96 127.35 75.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 118.014 -1.475 . . . . 0.0 107.523 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.552 ' O ' ' HA ' ' A' ' 3' ' ' ALA . 14.1 m-90 -108.87 129.43 55.41 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 123.821 1.772 . . . . 0.0 111.123 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' DLE . . . . . 0.442 HD23 ' HB1' ' A' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 4' ' ' DLE . 32.2 m-90 -109.09 151.51 26.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 127.355 3.455 . . . . 0.0 112.227 176.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -100.76 153.72 19.22 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 124.259 1.981 . . . . 0.0 111.284 173.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -107.26 129.0 54.93 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 123.752 1.739 . . . . 0.0 113.943 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ETA . . . . . 0.442 ' HB1' HD23 ' A' ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' FVA . . . . . 0.615 ' HN ' ' HN ' ' A' ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.18 -134.07 3.52 Favored Glycine 0 CA--C 1.475 -2.412 0 C-N-CA 115.849 -3.072 . . . . 0.0 112.823 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' B' ' 9' ' ' TRP . . . -109.73 148.62 31.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 117.312 0.556 . . . . 0.0 112.207 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' DLE . . . . . 0.622 HD13 ' CE3' ' B' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.23 124.96 45.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -119.96 127.35 75.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 118.014 -1.475 . . . . 0.0 107.523 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.552 ' O ' ' HA ' ' B' ' 3' ' ' ALA . 14.1 m-90 -108.87 129.43 55.41 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 123.821 1.772 . . . . 0.0 111.123 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' DLE . . . . . 0.442 HD23 ' HB1' ' B' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' B' ' 4' ' ' DLE . 32.2 m-90 -109.09 151.51 26.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 127.355 3.455 . . . . 0.0 112.227 176.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -100.76 153.72 19.22 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 124.259 1.981 . . . . 0.0 111.284 173.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -107.26 129.0 54.93 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 123.752 1.739 . . . . 0.0 113.943 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ETA . . . . . 0.442 ' HB1' HD23 ' B' ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' FVA . . . . . 0.615 ' HN ' ' HN ' ' B' ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.18 -134.07 3.52 Favored Glycine 0 CA--C 1.475 -2.412 0 C-N-CA 115.849 -3.072 . . . . 0.0 112.823 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 9' ' ' TRP . . . -109.73 148.62 31.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 117.312 0.556 . . . . 0.0 112.207 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DLE . . . . . 0.622 HD13 ' CE3' ' A' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.23 124.96 45.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -119.96 127.35 75.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 118.014 -1.475 . . . . 0.0 107.523 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.552 ' O ' ' HA ' ' A' ' 3' ' ' ALA . 14.1 m-90 -108.87 129.43 55.41 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 123.821 1.772 . . . . 0.0 111.123 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' DLE . . . . . 0.442 HD23 ' HB1' ' A' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' A' ' 4' ' ' DLE . 32.2 m-90 -109.09 151.51 26.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 127.355 3.455 . . . . 0.0 112.227 176.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -100.76 153.72 19.22 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 124.259 1.981 . . . . 0.0 111.284 173.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -107.26 129.0 54.93 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 123.752 1.739 . . . . 0.0 113.943 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ETA . . . . . 0.442 ' HB1' HD23 ' A' ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' FVA . . . . . 0.615 ' HN ' ' HN ' ' A' ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.18 -134.07 3.52 Favored Glycine 0 CA--C 1.475 -2.412 0 C-N-CA 115.849 -3.072 . . . . 0.0 112.823 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' B' ' 9' ' ' TRP . . . -109.73 148.62 31.08 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 117.312 0.556 . . . . 0.0 112.207 175.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' DLE . . . . . 0.622 HD13 ' CE3' ' B' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -121.23 124.96 45.93 Favored 'General case' 0 C--N 1.366 1.3 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 1.3 t -119.96 127.35 75.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 118.014 -1.475 . . . . 0.0 107.523 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.552 ' O ' ' HA ' ' B' ' 3' ' ' ALA . 14.1 m-90 -108.87 129.43 55.41 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 123.821 1.772 . . . . 0.0 111.123 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' DLE . . . . . 0.442 HD23 ' HB1' ' B' ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.622 ' CE3' HD13 ' B' ' 4' ' ' DLE . 32.2 m-90 -109.09 151.51 26.3 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-O 127.355 3.455 . . . . 0.0 112.227 176.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 28.8 m-90 -100.76 153.72 19.22 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 124.259 1.981 . . . . 0.0 111.284 173.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 m-90 -107.26 129.0 54.93 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 123.752 1.739 . . . . 0.0 113.943 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ETA . . . . . 0.442 ' HB1' HD23 ' B' ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_