data_1jbd_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 1jbd _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 1.197 ' O ' HG21 ' A' ' 2' ' ' VAL . 10.2 tt . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.695 -0.483 . . . . 99.989999999999995 109.695 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 1.197 HG21 ' O ' ' A' ' 1' ' ' ILE . 58.3 t -179.94 -179.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.786 -0.45 . . . . 99.989999999999995 109.786 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.745 ' HB2' ' OG1' ' A' ' 15' ' ' THR . 1.3 m -134.88 171.77 13.93 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.809 1.644 . . . . 99.989999999999995 109.337 167.278 -94.394 -69.856 -93.557 106.637 2.046 108.899 -65.286 -31.45 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -78.59 162.69 26.1 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 99.989999999999995 110.745 165.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.872 ' HG1' ' HG ' ' A' ' 12' ' ' SER . 14.9 p -122.78 163.2 20.64 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.738 1.215 . . . . 99.989999999999995 110.847 163.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' HB ' ' CD1' ' B' ' 3' ' ' TYR . 1.3 p -144.59 134.16 23.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 106.711 -1.589 . . . . 99.989999999999995 106.711 140.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.64 -115.44 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.948 1.299 . . . . 99.989999999999995 107.969 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 p -78.26 -17.91 56.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.28 1.432 . . . . 99.989999999999995 113.454 171.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 1.157 ' O ' ' HE2' ' B' ' 3' ' ' TYR . 15.2 m -64.22 150.97 91.61 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 123.986 0.914 . . . . 99.989999999999995 111.406 170.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -61.42 -52.17 3.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.468 2.112 . . . . 0.0 109.11 164.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -150.35 160.46 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 126.366 1.866 . . . . 99.989999999999995 107.324 145.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.872 ' HG ' ' HG1' ' A' ' 5' ' ' THR . 89.7 p -148.77 -177.7 5.94 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.043 -1.035 . . . . 99.989999999999995 111.665 169.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.94 105.67 4.71 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 99.989999999999995 110.753 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.88 159.73 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.509 1.524 . . . . 99.989999999999995 109.832 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.745 ' OG1' ' HB2' ' A' ' 3' ' ' CYS . 16.4 m -129.03 165.3 21.43 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.879 2.072 . . . . 99.989999999999995 108.223 160.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' N ' HG23 ' A' ' 15' ' ' THR . 72.4 m -79.86 167.04 36.75 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.576 1.95 . . . . 99.989999999999995 111.073 179.072 -62.879 126.613 -66.781 106.583 2.04 106.855 -165.47 77.351 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.53 164.99 21.65 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 121.502 1.468 . . . . 0.0 111.964 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -58.98 102.57 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.295 2.663 . . . . 0.0 112.895 -169.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.76 -60.84 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 C-N-CA 128.126 2.774 . . . . 99.989999999999995 107.632 -170.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -59.29 151.76 22.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.725 0.81 . . . . 99.989999999999995 111.738 156.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -139.06 -11.79 1.25 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.877 1.271 . . . . 99.989999999999995 113.666 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.85 -172.35 4.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.852 1.661 . . . . 99.989999999999995 110.663 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.97 153.36 47.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.454 0.701 . . . . 99.989999999999995 111.805 179.066 -31.45 -65.286 -93.557 108.899 2.046 106.637 -69.856 -94.394 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -127.03 172.8 10.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.153 1.381 . . . . 99.989999999999995 114.519 -168.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -125.98 86.01 2.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.229 2.212 . . . . 99.989999999999995 114.926 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.775 ' HZ1' ' HE2' ' A' ' 55' ' ' GLU . 39.9 mttm -72.25 99.46 2.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.904 -1.747 . . . . 99.989999999999995 111.059 173.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mtt -80.67 122.12 26.71 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.012 0.525 . . . . 99.989999999999995 112.215 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.97 -138.46 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.824 1.249 . . . . 99.989999999999995 112.18 170.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.98 167.94 20.99 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.365 -1.46 . . . . 99.989999999999995 111.314 173.25 -139.243 -162.12 86.175 105.4 2.045 105.425 47.207 -164.379 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.28 163.62 27.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.466 1.106 . . . . 99.989999999999995 110.115 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.51 70.91 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.124 -0.985 . . . . 99.989999999999995 111.62 161.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -73.44 -13.58 61.1 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.956 1.095 . . . . 99.989999999999995 113.956 168.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t 15.93 64.4 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.636 3.174 . . . . 99.989999999999995 115.573 -164.897 -164.379 47.207 86.175 105.425 2.045 105.4 -162.12 -139.243 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -62.99 160.97 13.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.625 1.57 . . . . 99.989999999999995 113.655 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -67.84 50.35 0.06 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.948 2.499 . . . . 99.989999999999995 114.508 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.65 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 5.0 mmp_? -124.9 7.01 8.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.483 3.113 . . . . 99.989999999999995 112.32 178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.47 -78.02 2.06 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.814 1.197 . . . . 99.989999999999995 113.159 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.31 128.41 33.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.607 1.163 . . . . 99.989999999999995 111.618 -174.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.688 HG21 ' CZ ' ' B' ' 4' ' ' TYR . 55.0 t -80.12 143.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 107.808 -1.182 . . . . 99.989999999999995 107.808 165.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 t -131.1 115.85 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.081 0.952 . . . . 99.989999999999995 109.118 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.74 82.49 1.66 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.913 0.885 . . . . 99.989999999999995 112.407 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.21 154.3 35.33 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.907 2.483 . . . . 99.989999999999995 112.061 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 172.6 -169.14 42.29 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 114.707 0.643 . . . . 99.989999999999995 114.707 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 p -67.96 140.46 56.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.57 2.348 . . . . 99.989999999999995 114.449 -179.064 77.351 -165.47 -66.781 106.855 2.04 106.583 126.613 -62.879 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.12 154.79 40.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.11 1.152 . . . . 99.989999999999995 114.11 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.42 -32.04 7.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.583 1.953 . . . . 99.989999999999995 111.997 170.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -139.95 163.2 33.3 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.959 2.504 . . . . 99.989999999999995 108.349 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m -79.24 102.73 1.17 Allowed Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 123.973 0.909 . . . . 99.989999999999995 111.785 -176.71 -62.261 -58.784 -143.231 103.15 2.041 104.842 135.661 -69.164 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.66 15.85 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 125.138 3.892 . . . . 0.0 118.105 -165.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.8 m -51.19 142.47 12.66 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.424 1.465 . . . . 99.989999999999995 114.178 -167.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -108.95 -161.7 0.78 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.661 1.984 . . . . 99.989999999999995 108.284 169.327 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -131.74 -47.0 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 116.595 -1.669 . . . . 99.989999999999995 114.219 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 58.1 Cg_endo -73.88 -13.13 24.15 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 CA-C-N 122.243 1.837 . . . . 0.0 114.987 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -157.89 -51.0 0.07 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.496 1.044 . . . . 99.989999999999995 113.185 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.775 ' HE2' ' HZ1' ' A' ' 26' ' ' LYS . 3.0 tt0 -77.8 91.99 4.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.712 1.005 . . . . 99.989999999999995 113.712 -166.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' OE1' ' OG1' ' A' ' 58' ' ' THR . 6.0 tm-20 -63.45 124.16 20.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.371 -0.831 . . . . 99.989999999999995 108.895 153.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.35 64.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 122.448 1.118 . . . . 99.989999999999995 111.991 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.403 ' OG1' ' OE1' ' A' ' 56' ' ' GLU . 71.5 p -68.0 177.54 2.15 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 99.989999999999995 112.332 169.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 97.3 m -132.92 169.7 16.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.583 1.553 . . . . 99.989999999999995 113.099 -166.447 -69.164 135.661 -143.231 104.842 2.041 103.15 -58.784 -62.261 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -132.39 141.2 48.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.356 -0.384 . . . . 99.989999999999995 109.995 148.517 -155.737 -120.89 -104.537 105.332 2.032 105.386 95.396 69.327 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -95.36 -3.95 46.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.831 1.652 . . . . 99.989999999999995 114.715 -167.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -131.03 178.4 6.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.795 1.238 . . . . 99.989999999999995 111.356 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.802 ' HD2' ' HZ1' ' A' ' 64' ' ' LYS . 41.2 t0 -66.22 151.02 47.9 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 121.759 0.79 . . . . 99.989999999999995 112.648 -173.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.802 ' HZ1' ' HD2' ' A' ' 63' ' ' ASP . 13.2 mptt 49.45 -23.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 130.735 3.614 . . . . 99.989999999999995 118.325 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.8 p -70.33 7.18 1.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.376 2.27 . . . . 99.989999999999995 116.673 -168.974 69.327 95.396 -104.537 105.386 2.032 105.332 -120.89 -155.737 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.02 -44.01 58.01 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 117.085 2.254 . . . . 99.989999999999995 117.085 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -81.25 -160.67 0.13 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 122.312 2.008 . . . . 0.0 115.214 -156.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.575 ' HE1' ' O ' ' B' ' 4' ' ' TYR . 11.4 p80 -126.6 -171.26 0.23 Allowed Pre-proline 0 CA--C 1.557 1.229 1 C-N-CA 131.723 4.009 . . . . 99.989999999999995 110.087 -167.15 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 68' ' ' HIS . 42.9 Cg_endo -68.4 138.91 43.84 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 122.489 2.126 . . . . 0.0 111.729 157.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' O ' ' HA ' ' B' ' 7' ' ' SER . 0.0 OUTLIER -167.31 -61.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.391 1.876 . . . . 99.989999999999995 113.357 -177.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.99 75.71 2.88 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.843 1.257 . . . . 99.989999999999995 111.707 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.8 144.37 29.37 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 126.336 1.854 . . . . 99.989999999999995 108.909 170.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -63.28 98.18 0.21 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.652 2.235 . . . . 0.0 110.539 167.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.653 0 C-N-CA 124.416 1.008 . . . . 99.989999999999995 111.523 -178.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.85 ' H1 ' ' CB ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.577 -0.527 . . . . 99.989999999999995 109.577 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.685 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.73 168.07 5.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.92 -1.037 . . . . 99.989999999999995 110.308 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 1.157 ' HE2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -116.66 49.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.11 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.688 ' CZ ' HG21 ' A' ' 39' ' ' VAL . 2.4 m-85 -58.97 -165.33 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.419 1.074 . . . . 99.989999999999995 111.019 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.63 40.1 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 99.989999999999995 110.232 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.416 ' H ' ' H ' ' B' ' 7' ' ' SER . 13.0 t -148.77 -4.46 0.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.613 1.196 . . . . 99.989999999999995 109.914 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.698 ' HG ' ' N ' ' B' ' 8' ' ' LEU . 15.5 t -173.2 166.81 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 109.948 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.698 ' N ' ' HG ' ' B' ' 7' ' ' SER . 1.8 tm? -125.69 -23.23 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 109.356 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.1 mm-40 -83.47 143.96 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 99.989999999999995 110.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.527 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.9 Cg_endo -74.81 24.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.59 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.7 -34.35 2.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.962 -1.125 . . . . 99.989999999999995 107.962 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.743 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.1 m-30 -96.8 -35.69 0.27 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 99.989999999999995 111.026 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.743 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -74.93 -37.61 2.0 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.85 ' CB ' ' H1 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 99.989999999999995 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 1.196 ' O ' HG23 ' A' ' 2' ' ' VAL . 10.2 tt . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 1.196 HG23 ' O ' ' A' ' 1' ' ' ILE . 58.3 t -179.94 -179.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.741 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.3 m -134.88 171.77 13.93 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.809 1.644 . . . . 0.0 109.337 167.278 -94.394 -69.856 -93.557 106.637 2.046 108.899 -65.286 -31.45 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -78.59 162.69 26.1 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 110.745 165.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 p -122.78 163.2 20.64 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.738 1.215 . . . . 0.0 110.847 163.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.405 ' HB ' ' CD1' ' B' ' 3' ' ' TYR . 1.3 p -144.59 134.16 23.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 140.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.64 -115.44 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.948 1.299 . . . . 0.0 107.969 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 p -78.26 -17.91 56.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.28 1.432 . . . . 0.0 113.454 171.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 1.1 ' O ' ' HE2' ' B' ' 3' ' ' TYR . 15.2 m -64.22 150.97 91.61 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 123.986 0.914 . . . . 0.0 111.406 170.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -61.42 -52.17 3.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.468 2.112 . . . . 0.0 109.11 164.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -150.35 160.46 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 126.366 1.866 . . . . 0.0 107.324 145.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -148.77 -177.7 5.94 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.043 -1.035 . . . . 0.0 111.665 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.94 105.67 4.71 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 0.0 110.753 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.88 159.73 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.509 1.524 . . . . 0.0 109.832 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.724 ' OG1' ' HB2' ' A' ' 3' ' ' CYS . 16.4 m -129.03 165.3 21.43 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.879 2.072 . . . . 99.989999999999995 108.223 160.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' N ' HG22 ' A' ' 15' ' ' THR . 72.4 m -79.86 167.04 36.75 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.576 1.95 . . . . 0.0 111.073 179.072 -62.879 126.613 -66.781 106.583 2.04 106.855 -165.47 77.351 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.53 164.99 21.65 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 121.502 1.468 . . . . 0.0 111.964 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -58.98 102.57 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.295 2.663 . . . . 0.0 112.895 -169.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.76 -60.84 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 C-N-CA 128.126 2.774 . . . . 0.0 107.632 -170.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -59.29 151.76 22.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.725 0.81 . . . . 0.0 111.738 156.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -139.06 -11.79 1.25 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.877 1.271 . . . . 0.0 113.666 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.85 -172.35 4.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.852 1.661 . . . . 0.0 110.663 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.97 153.36 47.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.454 0.701 . . . . 0.0 111.805 179.066 -31.45 -65.286 -93.557 108.899 2.046 106.637 -69.856 -94.394 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -127.03 172.8 10.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.153 1.381 . . . . 0.0 114.519 -168.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -125.98 86.01 2.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.229 2.212 . . . . 0.0 114.926 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -72.25 99.46 2.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.904 -1.747 . . . . 0.0 111.059 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mtt -80.67 122.12 26.71 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.012 0.525 . . . . 0.0 112.215 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.97 -138.46 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.824 1.249 . . . . 0.0 112.18 170.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.98 167.94 20.99 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.365 -1.46 . . . . 0.0 111.314 173.25 -139.243 -162.12 86.175 105.4 2.045 105.425 47.207 -164.379 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.28 163.62 27.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.466 1.106 . . . . 0.0 110.115 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.51 70.91 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 111.62 161.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -73.44 -13.58 61.1 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 168.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t 15.93 64.4 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.636 3.174 . . . . 0.0 115.573 -164.897 -164.379 47.207 86.175 105.425 2.045 105.4 -162.12 -139.243 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -62.99 160.97 13.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.625 1.57 . . . . 0.0 113.655 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -67.84 50.35 0.06 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.948 2.499 . . . . 0.0 114.508 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.663 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 5.0 mmp_? -124.9 7.01 8.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.483 3.113 . . . . 0.0 112.32 178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.47 -78.02 2.06 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.814 1.197 . . . . 0.0 113.159 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.31 128.41 33.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.607 1.163 . . . . 0.0 111.618 -174.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.685 HG23 ' CZ ' ' B' ' 4' ' ' TYR . 55.0 t -80.12 143.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 165.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 t -131.1 115.85 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.081 0.952 . . . . 0.0 109.118 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.74 82.49 1.66 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.913 0.885 . . . . 0.0 112.407 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.21 154.3 35.33 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.907 2.483 . . . . 0.0 112.061 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 172.6 -169.14 42.29 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 114.707 0.643 . . . . 0.0 114.707 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 p -67.96 140.46 56.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.57 2.348 . . . . 0.0 114.449 -179.064 77.351 -165.47 -66.781 106.855 2.04 106.583 126.613 -62.879 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.12 154.79 40.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.42 -32.04 7.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.583 1.953 . . . . 0.0 111.997 170.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -139.95 163.2 33.3 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.959 2.504 . . . . 0.0 108.349 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m -79.24 102.73 1.17 Allowed Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 123.973 0.909 . . . . 0.0 111.785 -176.71 -62.261 -58.784 -143.231 103.15 2.041 104.842 135.661 -69.164 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.66 15.85 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 125.138 3.892 . . . . 0.0 118.105 -165.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.8 m -51.19 142.47 12.66 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.424 1.465 . . . . 0.0 114.178 -167.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -108.95 -161.7 0.78 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.661 1.984 . . . . 0.0 108.284 169.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.597 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -131.74 -47.0 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 116.595 -1.669 . . . . 0.0 114.219 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.597 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 58.1 Cg_endo -73.88 -13.13 24.15 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 CA-C-N 122.243 1.837 . . . . 0.0 114.987 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -157.89 -51.0 0.07 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.496 1.044 . . . . 0.0 113.185 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.8 91.99 4.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -166.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -63.45 124.16 20.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.371 -0.831 . . . . 0.0 108.895 153.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.35 64.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 122.448 1.118 . . . . 0.0 111.991 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -68.0 177.54 2.15 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.332 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 97.3 m -132.92 169.7 16.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.583 1.553 . . . . 0.0 113.099 -166.447 -69.164 135.661 -143.231 104.842 2.041 103.15 -58.784 -62.261 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -132.39 141.2 48.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.995 148.517 -155.737 -120.89 -104.537 105.332 2.032 105.386 95.396 69.327 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -95.36 -3.95 46.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.831 1.652 . . . . 0.0 114.715 -167.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -131.03 178.4 6.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.795 1.238 . . . . 0.0 111.356 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.22 151.02 47.9 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 121.759 0.79 . . . . 0.0 112.648 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 49.45 -23.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 130.735 3.614 . . . . 0.0 118.325 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.8 p -70.33 7.18 1.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.376 2.27 . . . . 0.0 116.673 -168.974 69.327 95.396 -104.537 105.386 2.032 105.332 -120.89 -155.737 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.02 -44.01 58.01 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -81.25 -160.67 0.13 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 122.312 2.008 . . . . 0.0 115.214 -156.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.575 ' HE1' ' O ' ' B' ' 4' ' ' TYR . 11.4 p80 -126.6 -171.26 0.23 Allowed Pre-proline 0 CA--C 1.557 1.229 1 C-N-CA 131.723 4.009 . . . . 0.0 110.087 -167.15 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 68' ' ' HIS . 42.9 Cg_endo -68.4 138.91 43.84 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 122.489 2.126 . . . . 0.0 111.729 157.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' B' ' 7' ' ' SER . 0.0 OUTLIER -167.31 -61.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.391 1.876 . . . . 0.0 113.357 -177.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.99 75.71 2.88 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.843 1.257 . . . . 0.0 111.707 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.8 144.37 29.37 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 126.336 1.854 . . . . 0.0 108.909 170.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -63.28 98.18 0.21 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.652 2.235 . . . . 0.0 110.539 167.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.653 0 C-N-CA 124.416 1.008 . . . . 0.0 111.523 -178.921 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.653 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.685 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.73 168.07 5.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 1.1 ' HE2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -116.66 49.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.685 ' CZ ' HG23 ' A' ' 39' ' ' VAL . 2.4 m-85 -58.97 -165.33 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 111.019 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.63 40.1 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.232 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -148.77 -4.46 0.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.613 1.196 . . . . 0.0 109.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.58 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 15.5 t -173.2 166.81 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.609 HD13 ' O ' ' B' ' 8' ' ' LEU . 1.8 tm? -125.69 -23.23 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.1 mm-40 -83.47 143.96 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.9 Cg_endo -74.81 24.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.589 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.7 -34.35 2.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.743 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.1 m-30 -96.8 -35.69 0.27 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.743 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -74.93 -37.61 2.0 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.653 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.196 ' O ' HG23 ' A' ' 2' ' ' VAL . 10.2 tt . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 1.196 HG23 ' O ' ' A' ' 1' ' ' ILE . 58.3 t -179.94 -179.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.741 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.3 m -134.88 171.77 13.93 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.809 1.644 . . . . 0.0 109.337 167.278 -94.394 -69.856 -93.557 106.637 2.046 108.899 -65.286 -31.45 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -78.59 162.69 26.1 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.276 -0.89 . . . . 0.0 110.745 165.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 p -122.78 163.2 20.64 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.738 1.215 . . . . 0.0 110.847 163.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.405 ' HB ' ' CD1' ' B' ' 3' ' ' TYR . 1.3 p -144.59 134.16 23.38 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 140.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -166.64 -115.44 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.948 1.299 . . . . 0.0 107.969 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.3 p -78.26 -17.91 56.03 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.28 1.432 . . . . 0.0 113.454 171.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 1.1 ' O ' ' HE2' ' B' ' 3' ' ' TYR . 15.2 m -64.22 150.97 91.61 Favored Pre-proline 0 CA--C 1.537 0.444 0 C-N-CA 123.986 0.914 . . . . 0.0 111.406 170.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -61.42 -52.17 3.52 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.468 2.112 . . . . 0.0 109.11 164.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -150.35 160.46 4.44 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 126.366 1.866 . . . . 0.0 107.324 145.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -148.77 -177.7 5.94 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.043 -1.035 . . . . 0.0 111.665 169.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.94 105.67 4.71 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.545 0.738 . . . . 0.0 110.753 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -143.88 159.73 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.509 1.524 . . . . 0.0 109.832 166.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.724 ' OG1' ' HB2' ' A' ' 3' ' ' CYS . 16.4 m -129.03 165.3 21.43 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.879 2.072 . . . . 99.989999999999995 108.223 160.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' N ' HG22 ' A' ' 15' ' ' THR . 72.4 m -79.86 167.04 36.75 Favored Pre-proline 0 CA--C 1.549 0.91 0 C-N-CA 126.576 1.95 . . . . 0.0 111.073 179.072 -62.879 126.613 -66.781 106.583 2.04 106.855 -165.47 77.351 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -64.53 164.99 21.65 Favored 'Trans proline' 0 CA--C 1.545 1.073 0 C-N-CA 121.502 1.468 . . . . 0.0 111.964 -177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -58.98 102.57 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.295 2.663 . . . . 0.0 112.895 -169.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 179.76 -60.84 0.08 OUTLIER Glycine 0 CA--C 1.526 0.728 0 C-N-CA 128.126 2.774 . . . . 0.0 107.632 -170.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -59.29 151.76 22.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.725 0.81 . . . . 0.0 111.738 156.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -139.06 -11.79 1.25 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.877 1.271 . . . . 0.0 113.666 -171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.85 -172.35 4.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.852 1.661 . . . . 0.0 110.663 -173.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.97 153.36 47.63 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.454 0.701 . . . . 0.0 111.805 179.066 -31.45 -65.286 -93.557 108.899 2.046 106.637 -69.856 -94.394 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -127.03 172.8 10.18 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.153 1.381 . . . . 0.0 114.519 -168.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -125.98 86.01 2.47 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 127.229 2.212 . . . . 0.0 114.926 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -72.25 99.46 2.39 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.904 -1.747 . . . . 0.0 111.059 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.1 mtt -80.67 122.12 26.71 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.012 0.525 . . . . 0.0 112.215 171.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -152.97 -138.46 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.824 1.249 . . . . 0.0 112.18 170.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -140.98 167.94 20.99 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 120.365 -1.46 . . . . 0.0 111.314 173.25 -139.243 -162.12 86.175 105.4 2.045 105.425 47.207 -164.379 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.28 163.62 27.6 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.466 1.106 . . . . 0.0 110.115 169.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.87 -30.51 70.91 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.124 -0.985 . . . . 0.0 111.62 161.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -73.44 -13.58 61.1 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 168.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.7 t 15.93 64.4 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 129.636 3.174 . . . . 0.0 115.573 -164.897 -164.379 47.207 86.175 105.425 2.045 105.4 -162.12 -139.243 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 m -62.99 160.97 13.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.625 1.57 . . . . 0.0 113.655 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 m -67.84 50.35 0.06 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.948 2.499 . . . . 0.0 114.508 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.663 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 5.0 mmp_? -124.9 7.01 8.02 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 129.483 3.113 . . . . 0.0 112.32 178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.47 -78.02 2.06 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.814 1.197 . . . . 0.0 113.159 172.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.31 128.41 33.7 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.607 1.163 . . . . 0.0 111.618 -174.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.685 HG23 ' CZ ' ' B' ' 4' ' ' TYR . 55.0 t -80.12 143.76 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 165.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 t -131.1 115.85 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.081 0.952 . . . . 0.0 109.118 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -107.74 82.49 1.66 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.913 0.885 . . . . 0.0 112.407 -175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.21 154.3 35.33 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.907 2.483 . . . . 0.0 112.061 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 172.6 -169.14 42.29 Favored Glycine 0 CA--C 1.539 1.58 0 N-CA-C 114.707 0.643 . . . . 0.0 114.707 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.8 p -67.96 140.46 56.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.57 2.348 . . . . 0.0 114.449 -179.064 77.351 -165.47 -66.781 106.855 2.04 106.583 126.613 -62.879 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -148.12 154.79 40.65 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 172.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.42 -32.04 7.59 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.583 1.953 . . . . 0.0 111.997 170.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 p -139.95 163.2 33.3 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 127.959 2.504 . . . . 0.0 108.349 171.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 71.5 m -79.24 102.73 1.17 Allowed Pre-proline 0 CA--C 1.547 0.828 0 C-N-CA 123.973 0.909 . . . . 0.0 111.785 -176.71 -62.261 -58.784 -143.231 103.15 2.041 104.842 135.661 -69.164 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -66.66 15.85 0.11 Allowed 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 125.138 3.892 . . . . 0.0 118.105 -165.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.8 m -51.19 142.47 12.66 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 120.424 1.465 . . . . 0.0 114.178 -167.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HE3' ' HA ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -108.95 -161.7 0.78 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.661 1.984 . . . . 0.0 108.284 169.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.597 ' H ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -131.74 -47.0 0.03 OUTLIER Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 116.595 -1.669 . . . . 0.0 114.219 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.597 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 58.1 Cg_endo -73.88 -13.13 24.15 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 CA-C-N 122.243 1.837 . . . . 0.0 114.987 -176.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -157.89 -51.0 0.07 Allowed 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.496 1.044 . . . . 0.0 113.185 172.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.8 91.99 4.17 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 -166.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -63.45 124.16 20.6 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.371 -0.831 . . . . 0.0 108.895 153.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.35 64.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-O 122.448 1.118 . . . . 0.0 111.991 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.5 p -68.0 177.54 2.15 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.595 1.558 . . . . 0.0 112.332 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 97.3 m -132.92 169.7 16.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.583 1.553 . . . . 0.0 113.099 -166.447 -69.164 135.661 -143.231 104.842 2.041 103.15 -58.784 -62.261 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 t -132.39 141.2 48.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.356 -0.384 . . . . 0.0 109.995 148.517 -155.737 -120.89 -104.537 105.332 2.032 105.386 95.396 69.327 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 27.1 p -95.36 -3.95 46.25 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 125.831 1.652 . . . . 0.0 114.715 -167.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -131.03 178.4 6.71 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.795 1.238 . . . . 0.0 111.356 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -66.22 151.02 47.9 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-O 121.759 0.79 . . . . 0.0 112.648 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.2 mptt 49.45 -23.59 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 130.735 3.614 . . . . 0.0 118.325 -175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 20.8 p -70.33 7.18 1.08 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.376 2.27 . . . . 0.0 116.673 -168.974 69.327 95.396 -104.537 105.386 2.032 105.332 -120.89 -155.737 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.02 -44.01 58.01 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 117.085 2.254 . . . . 0.0 117.085 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -81.25 -160.67 0.13 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 122.312 2.008 . . . . 0.0 115.214 -156.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.575 ' HE1' ' O ' ' B' ' 4' ' ' TYR . 11.4 p80 -126.6 -171.26 0.23 Allowed Pre-proline 0 CA--C 1.557 1.229 1 C-N-CA 131.723 4.009 . . . . 0.0 110.087 -167.15 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 68' ' ' HIS . 42.9 Cg_endo -68.4 138.91 43.84 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 122.489 2.126 . . . . 0.0 111.729 157.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' B' ' 7' ' ' SER . 0.0 OUTLIER -167.31 -61.55 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.391 1.876 . . . . 0.0 113.357 -177.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -75.99 75.71 2.88 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.843 1.257 . . . . 0.0 111.707 -174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.8 144.37 29.37 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 126.336 1.854 . . . . 0.0 108.909 170.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -63.28 98.18 0.21 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 122.652 2.235 . . . . 0.0 110.539 167.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.653 0 C-N-CA 124.416 1.008 . . . . 0.0 111.523 -178.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.653 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.685 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.73 168.07 5.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.308 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 1.1 ' HE2' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -116.66 49.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.11 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.685 ' CZ ' HG23 ' A' ' 39' ' ' VAL . 2.4 m-85 -58.97 -165.33 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 124.419 1.074 . . . . 0.0 111.019 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.436 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.63 40.1 1.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.232 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -148.77 -4.46 0.43 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.613 1.196 . . . . 0.0 109.914 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.58 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 15.5 t -173.2 166.81 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.948 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.609 HD13 ' O ' ' B' ' 8' ' ' LEU . 1.8 tm? -125.69 -23.23 4.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.1 mm-40 -83.47 143.96 45.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.511 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.9 Cg_endo -74.81 24.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.589 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.7 -34.35 2.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.743 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.1 m-30 -96.8 -35.69 0.27 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.743 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -74.93 -37.61 2.0 Favored 'Trans proline' 0 C--N 1.358 1.065 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.653 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.247 -179.975 . . . . . . . . 1 1 . 1 stop_ save_