data_1jjd_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 1jjd _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 ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.28 154.57 19.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.072 1.305 . . . . 0.0 108.968 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.2 m -114.09 157.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -60.71 178.79 0.2 Allowed 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.662 0.665 . . . . 0.0 112.253 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.55 166.14 10.61 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.275 . . -77.77 5.41 9.5 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.56 125.08 45.28 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 104.105 -2.554 . . . . 0.0 104.105 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.04 -57.35 20.08 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-O 116.696 -1.621 . . . . 0.0 109.305 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.75 2.14 5.0 Favored 'Trans proline' 0 C--N 1.359 1.101 0 CA-C-N 122.804 2.037 . . . . 0.0 114.637 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -75.12 123.63 25.57 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.106 1.776 . . . . 0.0 109.17 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.46 9.15 30.37 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.482 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m -80.43 146.67 31.32 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.764 1.166 . . . . 0.0 109.536 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -113.17 105.89 13.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -113.26 174.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 CA-C-N 120.049 1.295 . . . . 0.0 111.544 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.62 154.86 44.57 Favored Pre-proline 0 C--N 1.357 0.894 0 CA-C-O 116.082 -1.914 . . . . 0.0 107.415 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.36 -0.32 6.76 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 123.698 2.356 . . . . 0.0 110.568 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 t -88.98 -23.61 22.6 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 119.46 1.027 . . . . 0.0 109.365 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.51 -26.78 8.89 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.718 -177.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.46 176.3 6.93 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.121 1.328 . . . . 0.0 110.23 -170.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mt -89.08 80.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.61 125.38 35.21 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -89.7 -61.46 1.69 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.177 0.899 . . . . 0.0 108.773 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -146.75 59.09 1.19 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.22 -7.44 82.07 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-O 117.626 -1.652 . . . . 0.0 112.852 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.2 tp -113.03 124.19 52.05 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.337 1.568 . . . . 0.0 108.758 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.8 128.91 37.81 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.642 -172.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -113.54 131.71 55.98 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.626 2.012 . . . . 0.0 111.267 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . 0.258 22.3 p -61.35 -70.44 0.19 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.22 0.918 . . . . 0.0 109.149 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.1 t -102.53 174.12 6.04 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.564 -0.732 . . . . 0.0 110.145 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.08 -36.77 65.98 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.546 -1.216 . . . . 0.0 108.917 163.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -38.91 82.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.723 1.601 . . . . 0.0 111.75 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.34 -23.2 59.0 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.227 1.376 . . . . 0.0 109.055 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.81 -34.75 45.08 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.46 1.482 . . . . 0.0 110.313 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.27 -28.64 61.29 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.494 1.043 . . . . 0.0 108.667 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.13 38.76 8.3 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.201 -1.333 . . . . 0.0 109.891 -174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 47.1 49.11 15.35 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.679 1.239 . . . . 0.0 110.415 172.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -60.26 147.74 39.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.947 -172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.33 -85.35 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.251 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.46 -172.04 23.58 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 115.417 0.927 . . . . 0.0 115.417 -169.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -75.73 -87.03 0.04 OUTLIER 'General case' 0 C--N 1.362 1.122 0 N-CA-C 119.465 3.135 . . . . 0.0 119.465 -160.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -90.83 160.97 15.47 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -154.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.57 172.09 0.01 OUTLIER Glycine 0 C--N 1.349 1.263 0 N-CA-C 122.915 3.926 . . . . 0.0 122.915 124.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . 0.292 5.2 p -115.06 28.91 8.38 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.25 -2.475 . . . . 0.0 115.826 -162.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.37 -14.06 9.63 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-O 116.235 -2.425 . . . . 0.0 115.616 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.294 0.7 OUTLIER -112.6 -177.21 3.09 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 121.401 2.601 . . . . 0.0 105.899 172.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 t -77.29 134.7 38.47 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -154.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.02 17.58 23.37 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 116.713 -2.159 . . . . 0.0 118.131 165.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.09 109.36 20.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.862 2.331 . . . . 0.0 106.997 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.1 48.24 1.49 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.545 1.52 . . . . 0.0 111.974 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.9 p -80.4 131.56 35.62 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.709 1.141 . . . . 0.0 113.504 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -91.6 -172.11 3.13 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 173.554 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.624 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 174.634 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.28 154.57 19.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.072 1.305 . . . . 0.0 108.968 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.402 HG21 ' CE2' ' A' ' 30' ' ' TYR . 1.2 m -114.09 157.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -60.71 178.79 0.2 Allowed 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.662 0.665 . . . . 0.0 112.253 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.55 166.14 10.61 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.275 . . -77.77 5.41 9.5 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.56 125.08 45.28 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 104.105 -2.554 . . . . 0.0 104.105 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.04 -57.35 20.08 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-O 116.696 -1.621 . . . . 0.0 109.305 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.75 2.14 5.0 Favored 'Trans proline' 0 C--N 1.359 1.101 0 CA-C-N 122.804 2.037 . . . . 0.0 114.637 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -75.12 123.63 25.57 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.106 1.776 . . . . 0.0 109.17 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.46 9.15 30.37 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.482 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m -80.43 146.67 31.32 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.764 1.166 . . . . 0.0 109.536 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -113.17 105.89 13.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -113.26 174.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 CA-C-N 120.049 1.295 . . . . 0.0 111.544 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.62 154.86 44.57 Favored Pre-proline 0 C--N 1.357 0.894 0 CA-C-O 116.082 -1.914 . . . . 0.0 107.415 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.36 -0.32 6.76 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 123.698 2.356 . . . . 0.0 110.568 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 t -88.98 -23.61 22.6 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 119.46 1.027 . . . . 0.0 109.365 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.51 -26.78 8.89 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.718 -177.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.46 176.3 6.93 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.121 1.328 . . . . 0.0 110.23 -170.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mt -89.08 80.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.61 125.38 35.21 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -89.7 -61.46 1.69 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.177 0.899 . . . . 0.0 108.773 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -146.75 59.09 1.19 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.22 -7.44 82.07 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-O 117.626 -1.652 . . . . 0.0 112.852 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.2 tp -113.03 124.19 52.05 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.337 1.568 . . . . 0.0 108.758 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.8 128.91 37.81 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.642 -172.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -113.54 131.71 55.98 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.626 2.012 . . . . 0.0 111.267 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . 0.258 22.3 p -61.35 -70.44 0.19 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.22 0.918 . . . . 0.0 109.149 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.1 t -102.53 174.12 6.04 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.564 -0.732 . . . . 0.0 110.145 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.08 -36.77 65.98 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.546 -1.216 . . . . 0.0 108.917 163.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -38.91 82.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.723 1.601 . . . . 0.0 111.75 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.34 -23.2 59.0 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.227 1.376 . . . . 0.0 109.055 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.81 -34.75 45.08 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.46 1.482 . . . . 0.0 110.313 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.27 -28.64 61.29 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.494 1.043 . . . . 0.0 108.667 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.13 38.76 8.3 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.201 -1.333 . . . . 0.0 109.891 -174.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 47.1 49.11 15.35 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.679 1.239 . . . . 0.0 110.415 172.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -60.26 147.74 39.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.947 -172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.33 -85.35 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.251 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.46 -172.04 23.58 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 115.417 0.927 . . . . 0.0 115.417 -169.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -75.73 -87.03 0.04 OUTLIER 'General case' 0 C--N 1.362 1.122 0 N-CA-C 119.465 3.135 . . . . 0.0 119.465 -160.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -90.83 160.97 15.47 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -154.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.57 172.09 0.01 OUTLIER Glycine 0 C--N 1.349 1.263 0 N-CA-C 122.915 3.926 . . . . 0.0 122.915 124.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . 0.292 5.2 p -115.06 28.91 8.38 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.25 -2.475 . . . . 0.0 115.826 -162.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.37 -14.06 9.63 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-O 116.235 -2.425 . . . . 0.0 115.616 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.294 0.7 OUTLIER -112.6 -177.21 3.09 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 121.401 2.601 . . . . 0.0 105.899 172.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 t -77.29 134.7 38.47 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -154.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.02 17.58 23.37 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 116.713 -2.159 . . . . 0.0 118.131 165.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.09 109.36 20.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.862 2.331 . . . . 0.0 106.997 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.1 48.24 1.49 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.545 1.52 . . . . 0.0 111.974 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.9 p -80.4 131.56 35.62 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.709 1.141 . . . . 0.0 113.504 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -172.11 3.13 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 173.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.624 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 174.634 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.51 -0.584 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mt -90.28 154.57 19.62 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 120.072 1.305 . . . . 0.0 108.968 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.402 HG21 ' CE2' ' A' ' 30' ' ' TYR . 1.2 m -114.09 157.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -60.71 178.79 0.2 Allowed 'General case' 0 C--N 1.351 0.647 0 CA-C-N 118.662 0.665 . . . . 0.0 112.253 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.8 t -103.55 166.14 10.61 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.077 -2.194 . . . . 0.0 105.077 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . 0.275 . . -77.77 5.41 9.5 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -99.56 125.08 45.28 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 104.105 -2.554 . . . . 0.0 104.105 177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -55.04 -57.35 20.08 Favored Pre-proline 0 C--N 1.357 0.92 0 CA-C-O 116.696 -1.621 . . . . 0.0 109.305 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -71.75 2.14 5.0 Favored 'Trans proline' 0 C--N 1.359 1.101 0 CA-C-N 122.804 2.037 . . . . 0.0 114.637 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -75.12 123.63 25.57 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.106 1.776 . . . . 0.0 109.17 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -90.46 9.15 30.37 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.482 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.1 m -80.43 146.67 31.32 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 119.764 1.166 . . . . 0.0 109.536 -172.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -113.17 105.89 13.99 Favored 'General case' 0 C--N 1.351 0.655 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.9 m -113.26 174.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 CA-C-N 120.049 1.295 . . . . 0.0 111.544 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.62 154.86 44.57 Favored Pre-proline 0 C--N 1.357 0.894 0 CA-C-O 116.082 -1.914 . . . . 0.0 107.415 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -88.36 -0.32 6.76 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 123.698 2.356 . . . . 0.0 110.568 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.0 t -88.98 -23.61 22.6 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-N 119.46 1.027 . . . . 0.0 109.365 176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.51 -26.78 8.89 Favored 'General case' 0 C--N 1.358 0.956 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.718 -177.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.46 176.3 6.93 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.121 1.328 . . . . 0.0 110.23 -170.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mt -89.08 80.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.61 125.38 35.21 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -89.7 -61.46 1.69 Allowed 'General case' 0 C--N 1.357 0.923 0 CA-C-N 119.177 0.899 . . . . 0.0 108.773 -177.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -146.75 59.09 1.19 Allowed 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 -170.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.22 -7.44 82.07 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-O 117.626 -1.652 . . . . 0.0 112.852 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.2 tp -113.03 124.19 52.05 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.337 1.568 . . . . 0.0 108.758 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' CE2' HG21 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -91.8 128.91 37.81 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 115.537 -2.173 . . . . 0.0 110.642 -172.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -113.54 131.71 55.98 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 121.626 2.012 . . . . 0.0 111.267 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . 0.258 22.3 p -61.35 -70.44 0.19 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.22 0.918 . . . . 0.0 109.149 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.1 t -102.53 174.12 6.04 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 118.564 -0.732 . . . . 0.0 110.145 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -55.08 -36.77 65.98 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 117.546 -1.216 . . . . 0.0 108.917 163.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.52 -38.91 82.22 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 120.723 1.601 . . . . 0.0 111.75 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.7 m -74.34 -23.2 59.0 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 120.227 1.376 . . . . 0.0 109.055 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.81 -34.75 45.08 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 120.46 1.482 . . . . 0.0 110.313 177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -74.27 -28.64 61.29 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 119.494 1.043 . . . . 0.0 108.667 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.13 38.76 8.3 Favored Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.201 -1.333 . . . . 0.0 109.891 -174.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.6 m-70 47.1 49.11 15.35 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 118.679 1.239 . . . . 0.0 110.415 172.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.3 p -60.26 147.74 39.13 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 118.52 -0.753 . . . . 0.0 109.947 -172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.33 -85.35 0.01 OUTLIER Glycine 0 C--N 1.355 1.604 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.251 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.46 -172.04 23.58 Favored Glycine 0 C--N 1.352 1.437 0 N-CA-C 115.417 0.927 . . . . 0.0 115.417 -169.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -75.73 -87.03 0.04 OUTLIER 'General case' 0 C--N 1.362 1.122 0 N-CA-C 119.465 3.135 . . . . 0.0 119.465 -160.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -90.83 160.97 15.47 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 -154.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 49.57 172.09 0.01 OUTLIER Glycine 0 C--N 1.349 1.263 0 N-CA-C 122.915 3.926 . . . . 0.0 122.915 124.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . 0.292 5.2 p -115.06 28.91 8.38 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.25 -2.475 . . . . 0.0 115.826 -162.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.37 -14.06 9.63 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-O 116.235 -2.425 . . . . 0.0 115.616 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . 0.294 0.7 OUTLIER -112.6 -177.21 3.09 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 121.401 2.601 . . . . 0.0 105.899 172.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.7 t -77.29 134.7 38.47 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 116.158 1.91 . . . . 0.0 116.158 -154.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.02 17.58 23.37 Favored Glycine 0 C--N 1.358 1.795 0 CA-C-O 116.713 -2.159 . . . . 0.0 118.131 165.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.09 109.36 20.42 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.862 2.331 . . . . 0.0 106.997 174.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -91.1 48.24 1.49 Allowed 'General case' 0 C--N 1.354 0.768 0 CA-C-N 120.545 1.52 . . . . 0.0 111.974 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 24.9 p -80.4 131.56 35.62 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-N 119.709 1.141 . . . . 0.0 113.504 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -91.6 -172.11 3.13 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 173.554 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.624 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 174.634 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_