data_2kk9_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 2kk9 _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 ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 CA--C 1.568 1.661 0 CA-C-O 121.31 0.576 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.62 62.0 2.8 Favored Glycine 0 CA--C 1.547 2.074 0 O-C-N 120.959 -1.088 . . . . 0.0 115.168 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.72 68.13 0.73 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.122 0.961 . . . . 0.0 110.444 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -140.13 86.26 2.07 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -131.27 63.55 1.6 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -169.16 -56.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.474 1.51 . . . . 0.0 110.085 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.8 -49.05 64.41 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 124.227 1.011 . . . . 0.0 113.302 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.26 -49.99 51.03 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.689 0.796 . . . . 0.0 112.927 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.44 60.9 0.73 Allowed 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 124.655 1.182 . . . . 0.0 114.103 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 t -91.4 95.58 10.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.508 -0.745 . . . . 0.0 109.23 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -127.3 -62.01 1.12 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.13 -40.65 86.14 Favored 'General case' 0 CA--C 1.577 1.985 0 C-N-CA 123.661 0.785 . . . . 0.0 110.018 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.92 97.67 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.914 1.286 . . . . 0.0 112.106 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -38.86 76.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.484 1.114 . . . . 0.0 113.415 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.36 -18.65 64.86 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -84.3 -48.28 9.89 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.046 0.938 . . . . 0.0 111.306 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.52 -49.63 75.93 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 123.954 0.901 . . . . 0.0 110.878 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.52 -36.78 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 117.724 -1.132 . . . . 0.0 113.657 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.49 81.45 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 120.46 1.482 . . . . 0.0 114.181 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.76 -47.32 60.23 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 124.254 1.022 . . . . 0.0 111.92 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.65 -45.03 95.78 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.991 1.269 . . . . 0.0 113.716 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -64.64 -41.11 96.37 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.86 -42.71 85.22 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.854 0.752 . . . . 0.0 112.161 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.46 -21.31 66.63 Favored 'General case' 0 CA--C 1.575 1.917 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.98 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.91 -48.08 22.75 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 119.924 1.238 . . . . 0.0 109.801 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -60.9 -40.77 94.36 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 124.178 0.991 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -67.84 -42.51 81.28 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.444 1.098 . . . . 0.0 113.535 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.75 -42.54 70.35 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 119.491 1.041 . . . . 0.0 113.69 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.14 -22.46 62.99 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mm 66.6 50.61 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 CA-C-N 120.266 1.394 . . . . 0.0 110.024 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t 54.0 68.58 0.83 Allowed 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 124.619 1.168 . . . . 0.0 112.67 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.47 38.67 25.54 Favored 'General case' 0 CA--C 1.577 2.008 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.29 77.07 0.34 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.116 1.366 . . . . 0.0 112.467 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.5 p -101.1 68.45 1.24 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.391 0.676 . . . . 0.0 112.501 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . 9.6 mmt180 -73.71 -69.37 0.44 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.597 0.759 . . . . 0.0 112.512 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' HE2' ' HB2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.39 -69.79 0.46 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 124.212 1.005 . . . . 0.0 112.245 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -82.04 0.2 Allowed Glycine 0 N--CA 1.484 1.84 0 CA-C-N 119.019 0.827 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.26 2.0 tm? -119.19 91.3 3.52 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 102.005 -3.332 . . . . 0.0 102.005 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -137.21 -129.02 0.14 Allowed 'General case' 0 CA--C 1.558 1.283 0 O-C-N 120.991 -1.068 . . . . 0.0 108.649 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -88.55 -63.29 1.32 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.038 1.335 . . . . 0.0 113.682 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.6 -49.2 76.18 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.33 -52.42 61.93 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.366 0.985 . . . . 0.0 113.217 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.05 65.35 1.46 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.1 -72.86 0.54 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.373 -0.83 . . . . 0.0 111.676 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.25 70.1 m -127.02 -121.13 0.25 Allowed 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -128.04 78.09 1.81 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 63.22 48.69 3.57 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 120.146 1.339 . . . . 0.0 110.908 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 60.14 50.21 6.67 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-N 119.838 1.199 . . . . 0.0 110.288 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? 60.77 49.23 6.33 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 124.416 1.087 . . . . 0.0 111.82 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -118.22 -67.76 0.97 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.604 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -81.49 52.82 1.94 Allowed 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -89.54 53.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 125.307 1.443 . . . . 0.0 113.158 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -78.67 -67.72 0.72 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.038 . . . . 0.0 110.839 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -38.19 69.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.39 122.93 28.63 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 122.12 0.962 . . . . 0.0 111.595 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 O-C-N 119.995 -1.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 CA--C 1.568 1.661 0 CA-C-O 121.31 0.576 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.62 62.0 2.8 Favored Glycine 0 CA--C 1.547 2.074 0 O-C-N 120.959 -1.088 . . . . 0.0 115.168 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.72 68.13 0.73 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.122 0.961 . . . . 0.0 110.444 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -140.13 86.26 2.07 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -131.27 63.55 1.6 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -169.16 -56.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.474 1.51 . . . . 0.0 110.085 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.8 -49.05 64.41 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 124.227 1.011 . . . . 0.0 113.302 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.26 -49.99 51.03 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.689 0.796 . . . . 0.0 112.927 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.44 60.9 0.73 Allowed 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 124.655 1.182 . . . . 0.0 114.103 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 t -91.4 95.58 10.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.508 -0.745 . . . . 0.0 109.23 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -127.3 -62.01 1.12 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.13 -40.65 86.14 Favored 'General case' 0 CA--C 1.577 1.985 0 C-N-CA 123.661 0.785 . . . . 0.0 110.018 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.92 97.67 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.914 1.286 . . . . 0.0 112.106 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -38.86 76.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.484 1.114 . . . . 0.0 113.415 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.36 -18.65 64.86 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -84.3 -48.28 9.89 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.046 0.938 . . . . 0.0 111.306 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.52 -49.63 75.93 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 123.954 0.901 . . . . 0.0 110.878 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.52 -36.78 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 117.724 -1.132 . . . . 0.0 113.657 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.49 81.45 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 120.46 1.482 . . . . 0.0 114.181 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.76 -47.32 60.23 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 124.254 1.022 . . . . 0.0 111.92 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.65 -45.03 95.78 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.991 1.269 . . . . 0.0 113.716 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -64.64 -41.11 96.37 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.86 -42.71 85.22 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.854 0.752 . . . . 0.0 112.161 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.46 -21.31 66.63 Favored 'General case' 0 CA--C 1.575 1.917 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.98 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.91 -48.08 22.75 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 119.924 1.238 . . . . 0.0 109.801 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -60.9 -40.77 94.36 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 124.178 0.991 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -67.84 -42.51 81.28 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.444 1.098 . . . . 0.0 113.535 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.75 -42.54 70.35 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 119.491 1.041 . . . . 0.0 113.69 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.14 -22.46 62.99 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mm 66.6 50.61 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 CA-C-N 120.266 1.394 . . . . 0.0 110.024 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t 54.0 68.58 0.83 Allowed 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 124.619 1.168 . . . . 0.0 112.67 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.47 38.67 25.54 Favored 'General case' 0 CA--C 1.577 2.008 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.29 77.07 0.34 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.116 1.366 . . . . 0.0 112.467 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.5 p -101.1 68.45 1.24 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.391 0.676 . . . . 0.0 112.501 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . 9.6 mmt180 -73.71 -69.37 0.44 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.597 0.759 . . . . 0.0 112.512 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.39 -69.79 0.46 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 124.212 1.005 . . . . 0.0 112.245 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -82.04 0.2 Allowed Glycine 0 N--CA 1.484 1.84 0 CA-C-N 119.019 0.827 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.26 2.0 tm? -119.19 91.3 3.52 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 102.005 -3.332 . . . . 0.0 102.005 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -137.21 -129.02 0.14 Allowed 'General case' 0 CA--C 1.558 1.283 0 O-C-N 120.991 -1.068 . . . . 0.0 108.649 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -88.55 -63.29 1.32 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.038 1.335 . . . . 0.0 113.682 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.6 -49.2 76.18 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.33 -52.42 61.93 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.366 0.985 . . . . 0.0 113.217 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.05 65.35 1.46 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.1 -72.86 0.54 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.373 -0.83 . . . . 0.0 111.676 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.25 70.1 m -127.02 -121.13 0.25 Allowed 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -128.04 78.09 1.81 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 63.22 48.69 3.57 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 120.146 1.339 . . . . 0.0 110.908 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 60.14 50.21 6.67 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-N 119.838 1.199 . . . . 0.0 110.288 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? 60.77 49.23 6.33 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 124.416 1.087 . . . . 0.0 111.82 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -118.22 -67.76 0.97 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.604 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -81.49 52.82 1.94 Allowed 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -89.54 53.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 125.307 1.443 . . . . 0.0 113.158 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -78.67 -67.72 0.72 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.038 . . . . 0.0 110.839 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -38.19 69.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.39 122.93 28.63 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 122.12 0.962 . . . . 0.0 111.595 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 O-C-N 119.995 -1.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt . . . . . 0 CA--C 1.568 1.661 0 CA-C-O 121.31 0.576 . . . . 0.0 111.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.62 62.0 2.8 Favored Glycine 0 CA--C 1.547 2.074 0 O-C-N 120.959 -1.088 . . . . 0.0 115.168 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.7 mt -106.72 68.13 0.73 Allowed 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.122 0.961 . . . . 0.0 110.444 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.3 mmt85 -140.13 86.26 2.07 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -131.27 63.55 1.6 Allowed 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -169.16 -56.15 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.474 1.51 . . . . 0.0 110.085 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.8 -49.05 64.41 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 124.227 1.011 . . . . 0.0 113.302 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.26 -49.99 51.03 Favored 'General case' 0 CA--C 1.567 1.617 0 C-N-CA 123.689 0.796 . . . . 0.0 112.927 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 65.44 60.9 0.73 Allowed 'General case' 0 CA--C 1.569 1.71 0 C-N-CA 124.655 1.182 . . . . 0.0 114.103 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 t -91.4 95.58 10.06 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.508 -0.745 . . . . 0.0 109.23 177.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -127.3 -62.01 1.12 Allowed 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -59.13 -40.65 86.14 Favored 'General case' 0 CA--C 1.577 1.985 0 C-N-CA 123.661 0.785 . . . . 0.0 110.018 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.92 97.67 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 124.914 1.286 . . . . 0.0 112.106 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -38.86 76.66 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.484 1.114 . . . . 0.0 113.415 177.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -64.36 -18.65 64.86 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -84.3 -48.28 9.89 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 124.046 0.938 . . . . 0.0 111.306 177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -61.52 -49.63 75.93 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 123.954 0.901 . . . . 0.0 110.878 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -61.52 -36.78 81.5 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 117.724 -1.132 . . . . 0.0 113.657 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.49 81.45 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 120.46 1.482 . . . . 0.0 114.181 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.76 -47.32 60.23 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 124.254 1.022 . . . . 0.0 111.92 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.65 -45.03 95.78 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 119.991 1.269 . . . . 0.0 113.716 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -64.64 -41.11 96.37 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -66.86 -42.71 85.22 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 118.854 0.752 . . . . 0.0 112.161 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.6 mt -65.46 -21.31 66.63 Favored 'General case' 0 CA--C 1.575 1.917 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.98 176.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -75.91 -48.08 22.75 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-N 119.924 1.238 . . . . 0.0 109.801 177.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -60.9 -40.77 94.36 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 124.178 0.991 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -67.84 -42.51 81.28 Favored 'General case' 0 CA--C 1.562 1.439 0 C-N-CA 124.444 1.098 . . . . 0.0 113.535 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.75 -42.54 70.35 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-N 119.491 1.041 . . . . 0.0 113.69 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -70.14 -22.46 62.99 Favored 'General case' 0 CA--C 1.565 1.558 0 N-CA-C 116.564 2.061 . . . . 0.0 116.564 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . 0.259 19.3 mm 66.6 50.61 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 CA-C-N 120.266 1.394 . . . . 0.0 110.024 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t 54.0 68.58 0.83 Allowed 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 124.619 1.168 . . . . 0.0 112.67 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 58.47 38.67 25.54 Favored 'General case' 0 CA--C 1.577 2.008 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 60.29 77.07 0.34 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 125.116 1.366 . . . . 0.0 112.467 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 96.5 p -101.1 68.45 1.24 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 123.391 0.676 . . . . 0.0 112.501 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HB2' ' HE2' ' A' ' 36' ' ' LYS . 9.6 mmt180 -73.71 -69.37 0.44 Allowed 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.597 0.759 . . . . 0.0 112.512 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -75.39 -69.79 0.46 Allowed 'General case' 0 CA--C 1.563 1.445 0 C-N-CA 124.212 1.005 . . . . 0.0 112.245 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 146.98 -82.04 0.2 Allowed Glycine 0 N--CA 1.484 1.84 0 CA-C-N 119.019 0.827 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.26 2.0 tm? -119.19 91.3 3.52 Favored 'General case' 0 CA--C 1.565 1.537 0 N-CA-C 102.005 -3.332 . . . . 0.0 102.005 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -137.21 -129.02 0.14 Allowed 'General case' 0 CA--C 1.558 1.283 0 O-C-N 120.991 -1.068 . . . . 0.0 108.649 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -88.55 -63.29 1.32 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.038 1.335 . . . . 0.0 113.682 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -62.6 -49.2 76.18 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.33 -52.42 61.93 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.366 0.985 . . . . 0.0 113.217 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -99.05 65.35 1.46 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.1 -72.86 0.54 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.373 -0.83 . . . . 0.0 111.676 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.25 70.1 m -127.02 -121.13 0.25 Allowed 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 106.184 -1.784 . . . . 0.0 106.184 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.7 mmt-85 -128.04 78.09 1.81 Allowed 'General case' 0 CA--C 1.56 1.362 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 63.22 48.69 3.57 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 120.146 1.339 . . . . 0.0 110.908 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 60.14 50.21 6.67 Favored 'General case' 0 N--CA 1.52 3.046 0 CA-C-N 119.838 1.199 . . . . 0.0 110.288 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? 60.77 49.23 6.33 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 124.416 1.087 . . . . 0.0 111.82 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -118.22 -67.76 0.97 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 118.046 -0.978 . . . . 0.0 111.604 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -81.49 52.82 1.94 Allowed 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -89.54 53.35 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 125.307 1.443 . . . . 0.0 113.158 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -78.67 -67.72 0.72 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.04 -1.038 . . . . 0.0 110.839 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -38.19 69.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.39 122.93 28.63 Favored 'General case' 0 CA--C 1.551 1.019 0 CA-C-O 122.12 0.962 . . . . 0.0 111.595 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 O-C-N 119.995 -1.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_