data_1a7i_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 1a7i _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 ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 N--CA 1.432 -1.355 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -130.96 139.96 50.1 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.618 1.199 . . . . 0.0 109.115 -171.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 t -77.34 159.8 29.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.843 3.257 . . . . 0.0 109.741 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.92 -24.18 55.92 Favored Glycine 0 C--N 1.352 1.459 0 C-N-CA 124.127 0.87 . . . . 0.0 111.371 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.68 -80.7 0.3 Allowed 'General case' 0 CA--C 1.483 -1.613 0 C-N-CA 124.56 1.144 . . . . 0.0 109.214 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 15' ' ' ARG 0.25 0.0 OUTLIER -64.44 -83.96 0.02 OUTLIER 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.306 1.051 . . . . 0.0 110.475 175.857 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.78 16.33 5.01 Favored Glycine 0 N--CA 1.427 -1.918 0 N-CA-C 106.467 -2.653 . . . . 0.0 106.467 -171.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HB2' ' CE1' ' A' ' 31' ' ' HIS . 35.2 mmt180 -70.76 -171.68 0.55 Allowed 'General case' 0 C--N 1.369 1.424 0 CA-C-N 118.365 1.083 . . . . 0.0 109.635 168.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -92.73 105.92 17.98 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG12 ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.07 140.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 N-CA-C 101.075 -3.676 . . . . 0.0 101.075 166.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -149.71 -76.88 0.15 Allowed 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -174.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -138.36 -61.69 0.59 Allowed 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -53.56 13.99 Favored 'General case' 0 N--CA 1.436 -1.148 0 C-N-CA 124.874 1.27 . . . . 0.0 110.549 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.01 40.46 1.03 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.662 1.185 . . . . 0.0 111.465 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -144.92 155.16 43.28 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.3 138.57 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -89.03 134.48 33.97 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 t -142.42 87.51 2.02 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.6 t0 69.83 -112.42 0.09 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.175 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 -37.65 6.27 Favored Glycine 0 C--N 1.355 1.62 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -172.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' HD2' ' H ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -99.67 -178.88 4.01 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -129.91 166.23 20.45 Favored 'General case' 0 N--CA 1.398 -3.025 0 N-CA-C 101.079 -3.674 . . . . 0.0 101.079 167.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . 0.259 64.4 m-85 -129.27 169.27 15.05 Favored 'General case' 0 CA--C 1.455 -2.682 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 168.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 17' ' ' VAL . 37.9 m80 -67.94 145.16 54.81 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-O 124.026 1.87 . . . . 0.0 111.272 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -43.29 -52.02 5.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 110.313 -3.13 . . . . 0.0 113.344 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.37 -46.1 9.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 123.464 0.706 . . . . 0.0 110.327 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.35 77.1 7.45 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 -175.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -122.98 128.66 50.52 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 -171.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' H ' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -143.7 167.95 21.05 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 23.5 t -74.02 132.43 42.35 Favored 'General case' 0 CA--C 1.494 -1.209 0 C-N-CA 128.511 2.724 . . . . 0.0 104.92 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ttt -81.13 -11.94 59.35 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.7 t -89.88 -83.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.133 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.99 -43.34 35.2 Favored 'General case' 0 N--CA 1.432 -1.335 0 C-N-CA 123.951 0.901 . . . . 0.0 112.467 -171.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.465 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 16.0 mmt180 87.64 59.81 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 128.524 2.73 . . . . 0.0 109.853 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 164.05 18.89 Favored 'General case' 0 C--N 1.375 1.701 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 172.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -76.11 95.62 3.69 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 tp -100.1 166.65 10.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -167.42 -145.24 0.06 Allowed 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 -171.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 m -95.22 47.07 1.12 Allowed 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.743 1.217 . . . . 0.0 108.369 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -84.4 -83.57 0.15 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 p -130.35 -135.05 0.21 Allowed 'General case' 0 N--CA 1.419 -1.986 1 N-CA-C 99.465 -4.272 . . . . 0.0 99.465 167.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.8 p 162.64 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 1 C-N-CA 134.108 4.963 . . . . 0.0 104.12 -173.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.08 163.56 37.86 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 tp -126.91 144.78 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.564 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 172.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -150.05 113.77 5.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 169.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 66.99 -119.76 0.25 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.654 1.582 . . . . 0.0 110.083 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.19 -12.33 26.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.308 1.043 . . . . 0.0 112.28 -171.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -130.53 164.18 25.43 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.722 0.772 . . . . 0.0 110.075 -171.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.74 131.7 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -108.34 150.67 27.03 Favored 'General case' 0 CA--C 1.489 -1.394 0 N-CA-C 102.972 -2.973 . . . . 0.0 102.972 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 29.6 p -88.14 -148.9 0.16 Allowed 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -172.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.17 -50.69 9.28 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.021 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 t -67.7 -61.16 2.02 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.736 1.614 . . . . 0.0 111.878 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.07 -16.24 62.03 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -171.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -75.38 -48.63 22.06 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.57 -10.44 85.84 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.421 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -108.22 -33.43 7.13 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 118.888 1.344 . . . . 0.0 109.848 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -73.61 -46.58 46.11 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -101.99 -19.07 15.37 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.075 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 2.263 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 177.417 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 N--CA 1.432 -1.355 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -130.96 139.96 50.1 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.618 1.199 . . . . 0.0 109.115 -171.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 t -77.34 159.8 29.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.843 3.257 . . . . 0.0 109.741 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.92 -24.18 55.92 Favored Glycine 0 C--N 1.352 1.459 0 C-N-CA 124.127 0.87 . . . . 0.0 111.371 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -89.68 -80.7 0.3 Allowed 'General case' 0 CA--C 1.483 -1.613 0 C-N-CA 124.56 1.144 . . . . 0.0 109.214 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.601 ' HB2' ' H ' ' A' ' 15' ' ' ARG 0.25 0.0 OUTLIER -64.44 -83.96 0.02 OUTLIER 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.306 1.051 . . . . 0.0 110.475 175.857 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.78 16.33 5.01 Favored Glycine 0 N--CA 1.427 -1.918 0 N-CA-C 106.467 -2.653 . . . . 0.0 106.467 -171.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.601 ' H ' ' HB2' ' A' ' 13' ' ' CYS . 35.2 mmt180 -70.76 -171.68 0.55 Allowed 'General case' 0 C--N 1.369 1.424 0 CA-C-N 118.365 1.083 . . . . 0.0 109.635 168.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -92.73 105.92 17.98 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.07 140.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 N-CA-C 101.075 -3.676 . . . . 0.0 101.075 166.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -149.71 -76.88 0.15 Allowed 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -174.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -138.36 -61.69 0.59 Allowed 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -53.56 13.99 Favored 'General case' 0 N--CA 1.436 -1.148 0 C-N-CA 124.874 1.27 . . . . 0.0 110.549 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.01 40.46 1.03 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.662 1.185 . . . . 0.0 111.465 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -144.92 155.16 43.28 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.3 138.57 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -89.03 134.48 33.97 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 t -142.42 87.51 2.02 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.6 t0 69.83 -112.42 0.09 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.175 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 -37.65 6.27 Favored Glycine 0 C--N 1.355 1.62 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -172.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HD2' ' H ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -99.67 -178.88 4.01 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.062 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -129.91 166.23 20.45 Favored 'General case' 0 N--CA 1.398 -3.025 0 N-CA-C 101.079 -3.674 . . . . 0.0 101.079 167.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . 0.259 64.4 m-85 -129.27 169.27 15.05 Favored 'General case' 0 CA--C 1.455 -2.682 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 168.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.646 ' CD2' HG13 ' A' ' 17' ' ' VAL . 37.9 m80 -67.94 145.16 54.81 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-O 124.026 1.87 . . . . 0.0 111.272 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -43.29 -52.02 5.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 110.313 -3.13 . . . . 0.0 113.344 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.37 -46.1 9.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 123.464 0.706 . . . . 0.0 110.327 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -89.35 77.1 7.45 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 -175.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -122.98 128.66 50.52 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 -171.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.7 167.95 21.05 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.811 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 23.5 t -74.02 132.43 42.35 Favored 'General case' 0 CA--C 1.494 -1.209 0 C-N-CA 128.511 2.724 . . . . 0.0 104.92 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ttt -81.13 -11.94 59.35 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.7 t -89.88 -83.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.133 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.99 -43.34 35.2 Favored 'General case' 0 N--CA 1.432 -1.335 0 C-N-CA 123.951 0.901 . . . . 0.0 112.467 -171.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 16.0 mmt180 87.64 59.81 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 128.524 2.73 . . . . 0.0 109.853 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 164.05 18.89 Favored 'General case' 0 C--N 1.375 1.701 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 172.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -76.11 95.62 3.69 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 tp -100.1 166.65 10.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -167.42 -145.24 0.06 Allowed 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 -171.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 m -95.22 47.07 1.12 Allowed 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.743 1.217 . . . . 0.0 108.369 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -84.4 -83.57 0.15 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 p -130.35 -135.05 0.21 Allowed 'General case' 0 N--CA 1.419 -1.986 1 N-CA-C 99.465 -4.272 . . . . 0.0 99.465 167.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.8 p 162.64 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 1 C-N-CA 134.108 4.963 . . . . 0.0 104.12 -173.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.08 163.56 37.86 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 tp -126.91 144.78 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.564 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 172.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -150.05 113.77 5.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 169.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 66.99 -119.76 0.25 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.654 1.582 . . . . 0.0 110.083 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.19 -12.33 26.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.308 1.043 . . . . 0.0 112.28 -171.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -130.53 164.18 25.43 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.722 0.772 . . . . 0.0 110.075 -171.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.74 131.7 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -108.34 150.67 27.03 Favored 'General case' 0 CA--C 1.489 -1.394 0 N-CA-C 102.972 -2.973 . . . . 0.0 102.972 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.811 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 29.6 p -88.14 -148.9 0.16 Allowed 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -172.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.17 -50.69 9.28 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.021 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 t -67.7 -61.16 2.02 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.736 1.614 . . . . 0.0 111.878 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.07 -16.24 62.03 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -171.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -75.38 -48.63 22.06 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.57 -10.44 85.84 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.421 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -108.22 -33.43 7.13 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 118.888 1.344 . . . . 0.0 109.848 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -73.61 -46.58 46.11 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -101.99 -19.07 15.37 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.075 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 2.263 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 177.417 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 N--CA 1.432 -1.355 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -130.96 139.96 50.1 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 122.618 1.199 . . . . 0.0 109.115 -171.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 27.2 t -77.34 159.8 29.28 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 129.843 3.257 . . . . 0.0 109.741 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -81.92 -24.18 55.92 Favored Glycine 0 C--N 1.352 1.459 0 C-N-CA 124.127 0.87 . . . . 0.0 111.371 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . . . -89.68 -80.7 0.3 Allowed 'General case' 0 CA--C 1.483 -1.613 0 C-N-CA 124.56 1.144 . . . . 0.0 109.214 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.601 ' HB2' ' H ' ' A' ' 15' ' ' ARG 0.25 0.0 OUTLIER -64.44 -83.96 0.02 OUTLIER 'General case' 0 CA--C 1.498 -1.039 0 CA-C-O 122.306 1.051 . . . . 0.0 110.475 175.857 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.78 16.33 5.01 Favored Glycine 0 N--CA 1.427 -1.918 0 N-CA-C 106.467 -2.653 . . . . 0.0 106.467 -171.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.601 ' H ' ' HB2' ' A' ' 13' ' ' CYS . 35.2 mmt180 -70.76 -171.68 0.55 Allowed 'General case' 0 C--N 1.369 1.424 0 CA-C-N 118.365 1.083 . . . . 0.0 109.635 168.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -92.73 105.92 17.98 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.646 HG13 ' CD2' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -88.07 140.78 15.27 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 N-CA-C 101.075 -3.676 . . . . 0.0 101.075 166.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -149.71 -76.88 0.15 Allowed 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -174.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -138.36 -61.69 0.59 Allowed 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 -174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -53.56 13.99 Favored 'General case' 0 N--CA 1.436 -1.148 0 C-N-CA 124.874 1.27 . . . . 0.0 110.549 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -91.01 40.46 1.03 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.662 1.185 . . . . 0.0 111.465 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -144.92 155.16 43.28 Favored 'General case' 0 CA--C 1.487 -1.46 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.3 138.57 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 N-CA-C 100.83 -3.767 . . . . 0.0 100.83 171.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -89.03 134.48 33.97 Favored 'General case' 0 CA--C 1.492 -1.259 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -174.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.2 t -142.42 87.51 2.02 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 104.457 -2.423 . . . . 0.0 104.457 -175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.6 t0 69.83 -112.42 0.09 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 125.401 1.48 . . . . 0.0 110.175 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.98 -37.65 6.27 Favored Glycine 0 C--N 1.355 1.62 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -172.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HD2' ' H ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -99.67 -178.88 4.01 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 -178.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -129.91 166.23 20.45 Favored 'General case' 0 N--CA 1.398 -3.025 0 N-CA-C 101.079 -3.674 . . . . 0.0 101.079 167.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . 0.259 64.4 m-85 -129.27 169.27 15.05 Favored 'General case' 0 CA--C 1.455 -2.682 0 N-CA-C 103.298 -2.853 . . . . 0.0 103.298 168.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.646 ' CD2' HG13 ' A' ' 17' ' ' VAL . 37.9 m80 -67.94 145.16 54.81 Favored 'General case' 0 N--CA 1.422 -1.867 0 CA-C-O 124.026 1.87 . . . . 0.0 111.272 174.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -43.29 -52.02 5.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 110.313 -3.13 . . . . 0.0 113.344 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.37 -46.1 9.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 123.464 0.706 . . . . 0.0 110.327 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 12' ' ' ALA . 0.1 OUTLIER -89.35 77.1 7.45 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 103.388 -2.819 . . . . 0.0 103.388 -175.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -122.98 128.66 50.52 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 102.154 -3.276 . . . . 0.0 102.154 -171.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.7 167.95 21.05 Favored 'General case' 0 N--CA 1.425 -1.709 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -170.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.811 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 23.5 t -74.02 132.43 42.35 Favored 'General case' 0 CA--C 1.494 -1.209 0 C-N-CA 128.511 2.724 . . . . 0.0 104.92 165.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ttt -81.13 -11.94 59.35 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.7 t -89.88 -83.68 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.133 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 p -76.99 -43.34 35.2 Favored 'General case' 0 N--CA 1.432 -1.335 0 C-N-CA 123.951 0.901 . . . . 0.0 112.467 -171.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.601 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 16.0 mmt180 87.64 59.81 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 128.524 2.73 . . . . 0.0 109.853 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 164.05 18.89 Favored 'General case' 0 C--N 1.375 1.701 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 172.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -76.11 95.62 3.69 Favored 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 tp -100.1 166.65 10.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 -174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -167.42 -145.24 0.06 Allowed 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 -171.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 m -95.22 47.07 1.12 Allowed 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 124.743 1.217 . . . . 0.0 108.369 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -84.4 -83.57 0.15 Allowed 'General case' 0 C--N 1.358 0.962 0 N-CA-C 103.749 -2.686 . . . . 0.0 103.749 167.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.1 p -130.35 -135.05 0.21 Allowed 'General case' 0 N--CA 1.419 -1.986 1 N-CA-C 99.465 -4.272 . . . . 0.0 99.465 167.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.8 p 162.64 160.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.433 -1.303 1 C-N-CA 134.108 4.963 . . . . 0.0 104.12 -173.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -150.08 163.56 37.86 Favored 'General case' 0 CA--C 1.494 -1.203 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 10.5 tp -126.91 144.78 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.564 0 N-CA-C 104.518 -2.401 . . . . 0.0 104.518 172.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -150.05 113.77 5.03 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 104.278 -2.49 . . . . 0.0 104.278 169.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 66.99 -119.76 0.25 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 125.654 1.582 . . . . 0.0 110.083 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.19 -12.33 26.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 C-N-CA 124.308 1.043 . . . . 0.0 112.28 -171.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -130.53 164.18 25.43 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-O 121.722 0.772 . . . . 0.0 110.075 -171.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.74 131.7 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.469 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -108.34 150.67 27.03 Favored 'General case' 0 CA--C 1.489 -1.394 0 N-CA-C 102.972 -2.973 . . . . 0.0 102.972 167.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.811 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 29.6 p -88.14 -148.9 0.16 Allowed 'General case' 0 N--CA 1.434 -1.239 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 -172.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -81.17 -50.69 9.28 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.021 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.2 t -67.7 -61.16 2.02 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 125.736 1.614 . . . . 0.0 111.878 -172.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 m -72.07 -16.24 62.03 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -171.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -75.38 -48.63 22.06 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.57 -10.44 85.84 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.421 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -108.22 -33.43 7.13 Favored 'General case' 0 CA--C 1.495 -1.154 0 CA-C-N 118.888 1.344 . . . . 0.0 109.848 -173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -73.61 -46.58 46.11 Favored 'General case' 0 CA--C 1.503 -0.856 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -101.99 -19.07 15.37 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.075 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.367 2.263 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 177.417 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_