data_1zy6_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 1zy6 _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' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.67 147.48 18.28 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.58 164.52 20.83 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 125.761 1.506 . . . . 0.0 110.509 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -158.62 136.96 10.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.592 0.757 . . . . 0.0 111.692 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.9 tp -162.65 146.01 11.25 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.744 1.278 . . . . 0.0 110.78 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 32.9 m -111.33 135.51 51.78 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.189 177.767 -50.407 -20.389 -88.919 109.828 2.047 105.051 108.523 -129.296 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -124.58 140.48 52.9 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.024 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.2 112.01 24.31 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.712 -96.334 56.012 -116.767 106.479 2.042 107.079 52.366 -94.014 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -95.4 99.68 11.56 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.292 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 64.69 -111.64 0.27 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.234 1.414 . . . . 0.0 109.828 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.35 31.13 6.52 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.124 0.874 . . . . 0.0 112.799 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.19 116.13 12.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.869 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -87.52 143.35 27.25 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.014 171.587 -94.014 52.366 -116.767 107.079 2.042 106.479 56.012 -96.334 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 13.2 p -129.3 131.5 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.526 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB3' HG21 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -119.86 130.62 54.96 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 122.1 0.953 . . . . 0.0 112.14 -179.456 -129.296 108.523 -88.919 105.051 2.047 109.828 -20.389 -50.407 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 p -132.01 156.39 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 109.996 -3.274 . . . . 0.0 110.602 -174.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.52 87.77 0.63 Allowed Glycine 0 CA--C 1.541 1.718 0 CA-C-N 113.222 -1.808 . . . . 0.0 113.053 164.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -148.68 76.02 1.33 Allowed 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 123.225 1.488 . . . . 0.0 112.303 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 O-C-N 118.191 -2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ARG . . . . . 0.667 ' HG2' ' H ' ' B' ' 2' ' ' GLY . 53.5 ttt180 . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 117.283 -1.342 . . . . 0.0 107.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.667 ' H ' ' HG2' ' B' ' 1' ' ' ARG . . . -74.91 160.52 52.83 Favored Glycine 0 N--CA 1.48 1.582 0 C-N-CA 124.841 1.21 . . . . 0.0 112.183 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.61 169.5 43.99 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 125.727 1.486 . . . . 0.0 112.419 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -157.93 136.68 11.34 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.734 -0.733 . . . . 0.0 111.114 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 17.4 tp -158.85 148.04 18.82 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.75 1.281 . . . . 0.0 110.571 167.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 m -114.95 140.32 49.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.162 179.816 -48.568 -29.676 -84.222 109.598 2.035 105.158 115.124 -138.669 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -132.32 150.73 52.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.749 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.8 129.77 55.76 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.96 0.886 . . . . 0.0 113.24 174.586 -101.552 56.593 -120.17 107.022 2.044 106.802 55.294 -99.671 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -115.66 99.58 7.43 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 113.734 -1.575 . . . . 0.0 107.095 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.435 ' HG2' ' H ' ' B' ' 11' ' ' ARG . 71.7 ttt180 61.62 -133.73 0.61 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.613 1.165 . . . . 0.0 108.174 -171.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' B' ' 10' ' ' ARG . 99.6 mtt180 -96.83 62.77 1.93 Allowed 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.744 1.156 . . . . 0.0 110.294 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.59 110.63 1.76 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.135 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -98.7 142.86 29.72 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.536 173.123 -99.671 55.294 -120.17 106.802 2.044 107.022 56.593 -101.552 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG21 ' HB3' ' A' ' 15' ' ' CYS . 10.4 p -124.85 145.32 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 113.189 -1.823 . . . . 0.0 110.667 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.44 136.66 49.25 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 171.204 -138.669 115.124 -84.222 105.158 2.035 109.598 -29.676 -48.568 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.01 158.44 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -172.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.25 92.02 0.71 Allowed Glycine 0 N--CA 1.481 1.668 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.567 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -147.48 86.02 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 122.71 1.243 . . . . 0.0 111.781 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 O-C-N 119.626 -1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 2' ' ' GLY . 58.6 ttt180 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' H ' ' HG2' ' A' ' 1' ' ' ARG . . . -99.67 147.48 18.28 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.58 164.52 20.83 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 125.761 1.506 . . . . 0.0 110.509 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -158.62 136.96 10.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.592 0.757 . . . . 0.0 111.692 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.9 tp -162.65 146.01 11.25 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.744 1.278 . . . . 0.0 110.78 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 32.9 m -111.33 135.51 51.78 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.189 177.767 -50.407 -20.389 -88.919 109.828 2.047 105.051 108.523 -129.296 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -124.58 140.48 52.9 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.024 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 1.2 m -100.2 112.01 24.31 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.712 -96.334 56.012 -116.767 106.479 2.042 107.079 52.366 -94.014 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -95.4 99.68 11.56 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.292 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 64.69 -111.64 0.27 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.234 1.414 . . . . 0.0 109.828 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.35 31.13 6.52 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.124 0.874 . . . . 0.0 112.799 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.19 116.13 12.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.869 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 1.3 m -87.52 143.35 27.25 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.014 171.587 -94.014 52.366 -116.767 107.079 2.042 106.479 56.012 -96.334 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 13.2 p -129.3 131.5 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.526 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -119.86 130.62 54.96 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 122.1 0.953 . . . . 0.0 112.14 -179.456 -129.296 108.523 -88.919 105.051 2.047 109.828 -20.389 -50.407 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 p -132.01 156.39 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 109.996 -3.274 . . . . 0.0 110.602 -174.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.52 87.77 0.63 Allowed Glycine 0 CA--C 1.541 1.718 0 CA-C-N 113.222 -1.808 . . . . 0.0 113.053 164.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -148.68 76.02 1.33 Allowed 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 123.225 1.488 . . . . 0.0 112.303 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 O-C-N 118.191 -2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ARG . . . . . 0.671 ' HG2' ' H ' ' B' ' 2' ' ' GLY . 53.5 ttt180 . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 117.283 -1.342 . . . . 0.0 107.436 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.671 ' H ' ' HG2' ' B' ' 1' ' ' ARG . . . -74.91 160.52 52.83 Favored Glycine 0 N--CA 1.48 1.582 0 C-N-CA 124.841 1.21 . . . . 0.0 112.183 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.61 169.5 43.99 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 125.727 1.486 . . . . 0.0 112.419 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -157.93 136.68 11.34 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.734 -0.733 . . . . 0.0 111.114 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 17.4 tp -158.85 148.04 18.82 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.75 1.281 . . . . 0.0 110.571 167.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 m -114.95 140.32 49.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.162 179.816 -48.568 -29.676 -84.222 109.598 2.035 105.158 115.124 -138.669 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -132.32 150.73 52.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.749 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.8 129.77 55.76 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.96 0.886 . . . . 0.0 113.24 174.586 -101.552 56.593 -120.17 107.022 2.044 106.802 55.294 -99.671 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -115.66 99.58 7.43 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 113.734 -1.575 . . . . 0.0 107.095 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.489 ' HG2' ' H ' ' B' ' 11' ' ' ARG . 71.7 ttt180 61.62 -133.73 0.61 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.613 1.165 . . . . 0.0 108.174 -171.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.489 ' H ' ' HG2' ' B' ' 10' ' ' ARG . 99.6 mtt180 -96.83 62.77 1.93 Allowed 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.744 1.156 . . . . 0.0 110.294 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.59 110.63 1.76 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.135 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -98.7 142.86 29.72 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.536 173.123 -99.671 55.294 -120.17 106.802 2.044 107.022 56.593 -101.552 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 15' ' ' CYS . 10.4 p -124.85 145.32 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 113.189 -1.823 . . . . 0.0 110.667 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.44 136.66 49.25 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 171.204 -138.669 115.124 -84.222 105.158 2.035 109.598 -29.676 -48.568 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.01 158.44 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -172.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.25 92.02 0.71 Allowed Glycine 0 N--CA 1.481 1.668 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.567 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -147.48 86.02 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 122.71 1.243 . . . . 0.0 111.781 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 O-C-N 119.626 -1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 2' ' ' GLY . 58.6 ttt180 . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.455 ' H ' ' HG2' ' A' ' 1' ' ' ARG . . . -99.67 147.48 18.28 Favored Glycine 0 N--CA 1.481 1.641 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 108.58 164.52 20.83 Favored Glycine 0 CA--C 1.542 1.735 0 O-C-N 125.761 1.506 . . . . 0.0 110.509 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -158.62 136.96 10.81 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.592 0.757 . . . . 0.0 111.692 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.9 tp -162.65 146.01 11.25 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.744 1.278 . . . . 0.0 110.78 170.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 14' ' ' VAL . 32.9 m -111.33 135.51 51.78 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 113.992 -1.458 . . . . 0.0 110.189 177.767 -50.407 -20.389 -88.919 109.828 2.047 105.051 108.523 -129.296 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -124.58 140.48 52.9 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 114.533 -1.212 . . . . 0.0 112.024 175.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 1.2 m -100.2 112.01 24.31 Favored 'General case' 0 N--CA 1.485 1.325 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.712 -96.334 56.012 -116.767 106.479 2.042 107.079 52.366 -94.014 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -95.4 99.68 11.56 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.17 -1.377 . . . . 0.0 107.292 170.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 64.69 -111.64 0.27 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.234 1.414 . . . . 0.0 109.828 -173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -112.35 31.13 6.52 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 119.124 0.874 . . . . 0.0 112.799 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.19 116.13 12.34 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.869 172.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' CYS . 1.3 m -87.52 143.35 27.25 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 114.485 -1.234 . . . . 0.0 111.014 171.587 -94.014 52.366 -116.767 107.079 2.042 106.479 56.012 -96.334 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 13.2 p -129.3 131.5 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 114.091 -1.413 . . . . 0.0 111.526 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -119.86 130.62 54.96 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 122.1 0.953 . . . . 0.0 112.14 -179.456 -129.296 108.523 -88.919 105.051 2.047 109.828 -20.389 -50.407 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 p -132.01 156.39 42.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 109.996 -3.274 . . . . 0.0 110.602 -174.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -102.52 87.77 0.63 Allowed Glycine 0 CA--C 1.541 1.718 0 CA-C-N 113.222 -1.808 . . . . 0.0 113.053 164.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.7 ttt-85 -148.68 76.02 1.33 Allowed 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 123.225 1.488 . . . . 0.0 112.303 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 O-C-N 118.191 -2.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.671 ' HG2' ' H ' ' B' ' 2' ' ' GLY . 53.5 ttt180 . . . . . 0 CA--C 1.545 0.758 0 CA-C-O 117.283 -1.342 . . . . 0.0 107.436 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.671 ' H ' ' HG2' ' B' ' 1' ' ' ARG . . . -74.91 160.52 52.83 Favored Glycine 0 N--CA 1.48 1.582 0 C-N-CA 124.841 1.21 . . . . 0.0 112.183 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.61 169.5 43.99 Favored Glycine 0 CA--C 1.539 1.552 0 O-C-N 125.727 1.486 . . . . 0.0 112.419 -173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -157.93 136.68 11.34 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 114.734 -0.733 . . . . 0.0 111.114 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 17.4 tp -158.85 148.04 18.82 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 124.75 1.281 . . . . 0.0 110.571 167.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 22.9 m -114.95 140.32 49.11 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.162 179.816 -48.568 -29.676 -84.222 109.598 2.035 105.158 115.124 -138.669 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -132.32 150.73 52.1 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.749 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -110.8 129.77 55.76 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.96 0.886 . . . . 0.0 113.24 174.586 -101.552 56.593 -120.17 107.022 2.044 106.802 55.294 -99.671 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -115.66 99.58 7.43 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 113.734 -1.575 . . . . 0.0 107.095 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.489 ' HG2' ' H ' ' B' ' 11' ' ' ARG . 71.7 ttt180 61.62 -133.73 0.61 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.613 1.165 . . . . 0.0 108.174 -171.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.489 ' H ' ' HG2' ' B' ' 10' ' ' ARG . 99.6 mtt180 -96.83 62.77 1.93 Allowed 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.744 1.156 . . . . 0.0 110.294 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.59 110.63 1.76 Allowed 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.135 176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -98.7 142.86 29.72 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.536 173.123 -99.671 55.294 -120.17 106.802 2.044 107.022 56.593 -101.552 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.449 HG23 ' HB3' ' A' ' 15' ' ' CYS . 10.4 p -124.85 145.32 32.32 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 CA-C-N 113.189 -1.823 . . . . 0.0 110.667 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.44 136.66 49.25 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 171.204 -138.669 115.124 -84.222 105.158 2.035 109.598 -29.676 -48.568 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 7.5 p -148.01 158.44 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 115.746 1.758 . . . . 0.0 115.746 -172.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -108.25 92.02 0.71 Allowed Glycine 0 N--CA 1.481 1.668 0 CA-C-N 113.749 -1.569 . . . . 0.0 112.567 173.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 63.8 ttt-85 -147.48 86.02 1.6 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 122.71 1.243 . . . . 0.0 111.781 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 O-C-N 119.626 -1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_