data_1nmj_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 1nmj _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' ' ' ASP . . . . . . . . . . . . 2.378 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.6 0.714 . . . . 10.0 109.673 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.21 -34.23 74.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.368 0.667 . . . . 10.0 110.548 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -72.57 46.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.417 2.687 . . . . 10.0 111.428 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -70.94 -41.21 71.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.917 0.487 . . . . 10.0 111.334 -159.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.11 165.19 29.67 Favored Glycine 0 N--CA 1.433 -1.548 0 N-CA-C 110.047 -1.221 . . . . 10.0 110.047 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -115.47 -52.27 2.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.368 1.467 . . . . 10.0 108.883 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -31.78 -56.17 0.29 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.976 1.31 . . . . 10.0 110.66 152.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -73.77 141.4 46.26 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.655 -1.157 . . . . 10.0 111.167 -159.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.52 72.52 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.021 -0.99 . . . . 10.0 112.855 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . 0.25 8.2 p90 1.33 -79.42 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.739 0 C-N-CA 131.172 3.789 . . . . 10.0 116.779 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 65.49 0.96 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.588 0.755 . . . . 10.0 110.211 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t 37.01 -75.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 130.446 3.499 . . . . 10.0 113.039 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -70.51 33.17 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.537 1.935 . . . . 10.0 112.461 168.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 54.72 12.07 0.53 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.144 0.978 . . . . 10.0 112.388 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? 58.6 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.726 1.611 . . . . 10.0 112.508 -161.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -13.92 5.55 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 120.954 -1.091 . . . . 10.0 113.759 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.87 -51.48 6.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.776 1.171 . . . . 10.0 110.794 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -25.8 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 118.566 0.621 . . . . 10.0 110.574 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.65 -82.56 0.09 Allowed 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.073 -1.084 . . . . 10.0 108.073 166.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -61.24 -47.14 87.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 114.342 1.238 . . . . 10.0 114.342 -162.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.99 70.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.728 -0.789 . . . . 10.0 109.373 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.47 -28.82 26.53 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -58.11 10.0 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.788 0.835 . . . . 10.0 109.808 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.73 -31.49 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.212 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 56.44 0.21 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 126.553 2.025 . . . . 10.0 112.401 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 p -70.74 -19.23 62.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 128.116 2.567 . . . . 10.0 111.75 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . 2.157 1.6 m-80 -0.73 -103.56 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 130.62 3.568 . . . . 10.0 120.066 148.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 2.424 0.0 OUTLIER . . . . . 0 C--O 1.252 1.194 0 C-N-CA 128.794 2.838 . . . . 10.0 107.628 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.378 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.6 0.714 . . . . 10.0 109.673 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.21 -34.23 74.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.368 0.667 . . . . 10.0 110.548 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -72.57 46.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.417 2.687 . . . . 10.0 111.428 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -70.94 -41.21 71.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.917 0.487 . . . . 10.0 111.334 -159.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.11 165.19 29.67 Favored Glycine 0 N--CA 1.433 -1.548 0 N-CA-C 110.047 -1.221 . . . . 10.0 110.047 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -115.47 -52.27 2.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.368 1.467 . . . . 10.0 108.883 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -31.78 -56.17 0.29 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.976 1.31 . . . . 10.0 110.66 152.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -73.77 141.4 46.26 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.655 -1.157 . . . . 10.0 111.167 -159.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.52 72.52 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.021 -0.99 . . . . 10.0 112.855 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . 0.25 8.2 p90 1.33 -79.42 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.739 0 C-N-CA 131.172 3.789 . . . . 10.0 116.779 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 65.49 0.96 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.588 0.755 . . . . 10.0 110.211 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t 37.01 -75.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 130.446 3.499 . . . . 10.0 113.039 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -70.51 33.17 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.537 1.935 . . . . 10.0 112.461 168.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 54.72 12.07 0.53 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.144 0.978 . . . . 10.0 112.388 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? 58.6 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.726 1.611 . . . . 10.0 112.508 -161.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -13.92 5.55 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 120.954 -1.091 . . . . 10.0 113.759 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.87 -51.48 6.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.776 1.171 . . . . 10.0 110.794 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -25.8 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 118.566 0.621 . . . . 10.0 110.574 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.65 -82.56 0.09 Allowed 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.073 -1.084 . . . . 10.0 108.073 166.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -61.24 -47.14 87.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 114.342 1.238 . . . . 10.0 114.342 -162.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.99 70.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.728 -0.789 . . . . 10.0 109.373 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.47 -28.82 26.53 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -58.11 10.0 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.788 0.835 . . . . 10.0 109.808 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.73 -31.49 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.212 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 56.44 0.21 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 126.553 2.025 . . . . 10.0 112.401 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 p -70.74 -19.23 62.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 128.116 2.567 . . . . 10.0 111.75 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' HE2' ' A' ' 28' ' ' LYS 2.157 1.6 m-80 -0.73 -103.56 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 130.62 3.568 . . . . 10.0 120.066 148.25 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 27' ' ' ASN 2.424 0.0 OUTLIER . . . . . 0 C--O 1.252 1.194 0 C-N-CA 128.794 2.838 . . . . 10.0 107.628 176.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . 2.378 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 121.6 0.714 . . . . 10.0 109.673 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.21 -34.23 74.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.368 0.667 . . . . 10.0 110.548 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -72.57 46.03 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 128.417 2.687 . . . . 10.0 111.428 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -70.94 -41.21 71.45 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 122.917 0.487 . . . . 10.0 111.334 -159.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.11 165.19 29.67 Favored Glycine 0 N--CA 1.433 -1.548 0 N-CA-C 110.047 -1.221 . . . . 10.0 110.047 172.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -115.47 -52.27 2.66 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.368 1.467 . . . . 10.0 108.883 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -31.78 -56.17 0.29 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.976 1.31 . . . . 10.0 110.66 152.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -73.77 141.4 46.26 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.655 -1.157 . . . . 10.0 111.167 -159.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.29 27.52 72.52 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.021 -0.99 . . . . 10.0 112.855 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . 0.25 8.2 p90 1.33 -79.42 0.0 OUTLIER 'General case' 0 N--CA 1.424 -1.739 0 C-N-CA 131.172 3.789 . . . . 10.0 116.779 177.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.59 65.49 0.96 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.588 0.755 . . . . 10.0 110.211 172.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t 37.01 -75.42 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 130.446 3.499 . . . . 10.0 113.039 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -70.51 33.17 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 126.537 1.935 . . . . 10.0 112.461 168.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 54.72 12.07 0.53 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.144 0.978 . . . . 10.0 112.388 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? 58.6 -62.88 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.726 1.611 . . . . 10.0 112.508 -161.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -13.92 5.55 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 120.954 -1.091 . . . . 10.0 113.759 -170.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.1 tt -84.87 -51.48 6.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 119.776 1.171 . . . . 10.0 110.794 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -25.8 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 118.566 0.621 . . . . 10.0 110.574 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -77.65 -82.56 0.09 Allowed 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 108.073 -1.084 . . . . 10.0 108.073 166.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -61.24 -47.14 87.44 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 114.342 1.238 . . . . 10.0 114.342 -162.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.43 -29.99 70.29 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 119.728 -0.789 . . . . 10.0 109.373 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.47 -28.82 26.53 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.85 -58.11 10.0 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.788 0.835 . . . . 10.0 109.808 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.6 m -67.73 -31.49 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.212 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.63 56.44 0.21 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 126.553 2.025 . . . . 10.0 112.401 171.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 p -70.74 -19.23 62.75 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 128.116 2.567 . . . . 10.0 111.75 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' ' HE2' ' A' ' 28' ' ' LYS 2.157 1.6 m-80 -0.73 -103.56 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 130.62 3.568 . . . . 10.0 120.066 148.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE2' ' C ' ' A' ' 27' ' ' ASN 2.424 0.0 OUTLIER . . . . . 0 C--O 1.252 1.194 0 C-N-CA 128.794 2.838 . . . . 10.0 107.628 176.922 . . . . . . . . 3 3 . 1 stop_ save_