data_1t8j_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 1t8j _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -155.78 139.21 15.82 Favored 'General case' 0 N--CA 1.489 1.511 1 O-C-N 115.634 -4.416 . . . . 0.0 108.596 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -21.01 126.87 0.02 OUTLIER 'General case' 0 N--CA 1.518 2.962 0 C-N-CA 126.33 1.852 . . . . 0.0 115.45 -173.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.271 71.5 t -141.16 77.54 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.728 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 169.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -87.58 67.97 9.44 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 123.123 1.439 . . . . 0.0 111.759 168.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -174.9 138.34 0.46 Allowed 'General case' 0 C--N 1.36 1.058 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.199 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -136.38 83.14 1.99 Allowed 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 101.881 -3.377 . . . . 0.0 101.881 158.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -56.18 -54.37 46.03 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -168.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t 49.8 61.72 3.02 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 123.918 1.818 . . . . 0.0 113.879 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -146.75 -68.43 0.26 Allowed 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 111.773 -2.467 . . . . 0.0 111.643 -164.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.32 62.5 p 46.18 14.24 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 120.526 3.528 . . . . 0.0 120.526 -167.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -122.02 -43.25 2.34 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 127.366 2.266 . . . . 0.0 107.34 166.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.14 -41.03 91.01 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 125.34 1.456 . . . . 0.0 113.597 165.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 1.7 tm? -87.65 -2.12 58.41 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 170.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.5 -31.12 18.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 115.901 -2.0 . . . . 0.0 107.48 164.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -48.67 -47.31 40.77 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mt -70.12 -45.96 65.8 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 126.126 1.77 . . . . 0.0 112.128 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.56 -29.81 70.84 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 126.095 1.758 . . . . 0.0 114.832 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -67.02 -48.17 69.21 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 127.598 2.359 . . . . 0.0 112.243 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.26 -43.31 87.85 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 126.474 1.909 . . . . 0.0 115.301 169.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -91.61 93.05 8.75 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.85 -44.67 1.18 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.49 179.99 48.81 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 123.675 1.708 . . . . 0.0 113.699 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 O-C-N 120.724 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.603 ' H3 ' ' H ' ' A' ' 10' ' ' ARG . . . . . . . . 0 C--O 1.226 -0.133 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -155.78 139.21 15.82 Favored 'General case' 0 N--CA 1.489 1.511 1 O-C-N 115.634 -4.416 . . . . 0.0 108.596 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -21.01 126.87 0.02 OUTLIER 'General case' 0 N--CA 1.518 2.962 0 C-N-CA 126.33 1.852 . . . . 0.0 115.45 -173.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.593 HG21 HD21 ' A' ' 14' ' ' LEU 0.271 71.5 t -141.16 77.54 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.728 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 169.039 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -87.58 67.97 9.44 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 123.123 1.439 . . . . 0.0 111.759 168.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -174.9 138.34 0.46 Allowed 'General case' 0 C--N 1.36 1.058 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.199 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -136.38 83.14 1.99 Allowed 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 101.881 -3.377 . . . . 0.0 101.881 158.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -56.18 -54.37 46.03 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -168.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t 49.8 61.72 3.02 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 123.918 1.818 . . . . 0.0 113.879 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.603 ' H ' ' H3 ' ' A' ' 0' ' ' ACE . 5.5 mmp_? -146.75 -68.43 0.26 Allowed 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 111.773 -2.467 . . . . 0.0 111.643 -164.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.32 62.5 p 46.18 14.24 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 120.526 3.528 . . . . 0.0 120.526 -167.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -122.02 -43.25 2.34 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 127.366 2.266 . . . . 0.0 107.34 166.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.14 -41.03 91.01 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 125.34 1.456 . . . . 0.0 113.597 165.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD21 HG21 ' A' ' 3' ' ' VAL 0.256 1.7 tm? -87.65 -2.12 58.41 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 170.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.5 -31.12 18.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 115.901 -2.0 . . . . 0.0 107.48 164.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -48.67 -47.31 40.77 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mt -70.12 -45.96 65.8 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 126.126 1.77 . . . . 0.0 112.128 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.56 -29.81 70.84 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 126.095 1.758 . . . . 0.0 114.832 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -67.02 -48.17 69.21 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 127.598 2.359 . . . . 0.0 112.243 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.26 -43.31 87.85 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 126.474 1.909 . . . . 0.0 115.301 169.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -91.61 93.05 8.75 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.85 -44.67 1.18 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.49 179.99 48.81 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 123.675 1.708 . . . . 0.0 113.699 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 O-C-N 120.724 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.603 ' H3 ' ' H ' ' A' ' 10' ' ' ARG . . . . . . . . 0 C--O 1.226 -0.133 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -155.78 139.21 15.82 Favored 'General case' 0 N--CA 1.489 1.511 1 O-C-N 115.634 -4.416 . . . . 0.0 108.596 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -21.01 126.87 0.02 OUTLIER 'General case' 0 N--CA 1.518 2.962 0 C-N-CA 126.33 1.852 . . . . 0.0 115.45 -173.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.593 HG21 HD21 ' A' ' 14' ' ' LEU 0.271 71.5 t -141.16 77.54 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.596 2.728 0 N-CA-C 103.684 -2.71 . . . . 0.0 103.684 169.039 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DPR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -87.58 67.97 9.44 Favored 'General case' 0 N--CA 1.495 1.804 0 CA-C-O 123.123 1.439 . . . . 0.0 111.759 168.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -174.9 138.34 0.46 Allowed 'General case' 0 C--N 1.36 1.058 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.199 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -136.38 83.14 1.99 Allowed 'General case' 0 CA--C 1.561 1.395 0 N-CA-C 101.881 -3.377 . . . . 0.0 101.881 158.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -56.18 -54.37 46.03 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 115.775 1.768 . . . . 0.0 115.775 -168.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t 49.8 61.72 3.02 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 123.918 1.818 . . . . 0.0 113.879 -169.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.603 ' H ' ' H3 ' ' A' ' 0' ' ' ACE . 5.5 mmp_? -146.75 -68.43 0.26 Allowed 'General case' 0 CA--C 1.568 1.67 0 CA-C-N 111.773 -2.467 . . . . 0.0 111.643 -164.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.32 62.5 p 46.18 14.24 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.209 0 N-CA-C 120.526 3.528 . . . . 0.0 120.526 -167.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -122.02 -43.25 2.34 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 127.366 2.266 . . . . 0.0 107.34 166.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -66.14 -41.03 91.01 Favored 'General case' 0 CA--C 1.576 1.947 0 C-N-CA 125.34 1.456 . . . . 0.0 113.597 165.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD21 HG21 ' A' ' 3' ' ' VAL 0.256 1.7 tm? -87.65 -2.12 58.41 Favored 'General case' 0 CA--C 1.562 1.442 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 170.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.5 -31.12 18.87 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 115.901 -2.0 . . . . 0.0 107.48 164.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -48.67 -47.31 40.77 Favored 'General case' 0 CA--C 1.572 1.795 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 169.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mt -70.12 -45.96 65.8 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 126.126 1.77 . . . . 0.0 112.128 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.56 -29.81 70.84 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 126.095 1.758 . . . . 0.0 114.832 168.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.3 mtt180 -67.02 -48.17 69.21 Favored 'General case' 0 N--CA 1.495 1.789 0 C-N-CA 127.598 2.359 . . . . 0.0 112.243 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.26 -43.31 87.85 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 126.474 1.909 . . . . 0.0 115.301 169.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -91.61 93.05 8.75 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 173.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.85 -44.67 1.18 Allowed 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.49 179.99 48.81 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-O 123.675 1.708 . . . . 0.0 113.699 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.641 0 O-C-N 120.724 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_