data_1yfb_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 1yfb _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 ' 2' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.262 0.553 . . . . 11.119999999999999 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.8 mtm -98.81 138.5 35.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 8.6099999999999994 110.153 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -92.18 134.88 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.907 . . . . 6.8399999999999999 110.464 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' B' ' 39' ' ' TYR . 94.2 p -118.91 155.75 30.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 3.3799999999999999 109.825 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.476 HG21 ' CG2' ' B' ' 40' ' ' VAL . 64.4 p -63.13 -34.35 77.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.079 -1.013 . . . . 2.54 110.22 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.34 46.06 51.37 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.624 -1.39 . . . . 0.75 109.624 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.86 134.99 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.238 . . . . 1.96 109.966 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' B' ' 50' ' ' TYR . 92.4 t -117.2 144.1 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.987 -1.071 . . . . 1.1200000000000001 110.929 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 29.4 tpt180 -128.22 158.86 36.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 3.1400000000000001 109.756 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 11.8 ttpp -82.76 146.02 29.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.999 . . . . 3.1099999999999999 110.324 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.552 ' CG2' HD13 ' B' ' 36' ' ' LEU . 3.7 t -82.11 128.98 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.347 -0.846 . . . . 1.04 109.85 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.46 ' OD1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -84.3 -175.07 5.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.143 -0.973 . . . . 0.17999999999999999 109.971 179.398 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.68 -39.3 73.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.032 -1.042 . . . . 2.02 111.652 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.529 ' CD2' ' HD3' ' A' ' 17' ' ' ARG . 15.7 tp -83.83 -5.97 59.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.765 -1.209 . . . . 1.1699999999999999 111.535 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' HA2' ' CG1' ' A' ' 12' ' ' VAL . . . 80.41 46.45 7.43 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.172 -1.49 . . . . 0.16 109.713 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.535 ' CD ' HG23 ' B' ' 19' ' ' VAL . 71.3 mtm180 -114.52 154.3 28.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.053 -1.263 . . . . 0.20000000000000001 110.005 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' CG1' HD11 ' B' ' 36' ' ' LEU . 17.0 m -124.29 153.55 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 1.04 109.838 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG21 ' CD ' ' B' ' 17' ' ' ARG . 20.2 t -111.33 135.23 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 1.1100000000000001 110.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.497 HD11 ' N ' ' A' ' 20' ' ' ILE . 1.7 mp -82.68 135.06 46.43 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 2.1400000000000001 109.551 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.531 ' HG2' ' CD1' ' A' ' 24' ' ' LEU . 9.2 Cg_endo -57.98 142.89 96.89 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 123.773 1.407 . . . . 0.32000000000000001 110.0 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.523 ' CD1' ' HD2' ' A' ' 25' ' ' ARG . 11.2 tp -55.19 -33.09 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.997 -1.065 . . . . 1.77 110.376 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.91 -35.54 71.21 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.174 -0.953 . . . . 2.0600000000000001 109.902 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.531 ' CD1' ' HG2' ' A' ' 21' ' ' PRO . 47.5 mt -83.09 -29.52 28.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.839 . . . . 1.1200000000000001 110.66 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.523 ' HD2' ' CD1' ' A' ' 22' ' ' ILE . 71.8 mtt180 -57.5 -44.14 84.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.827 -1.17 . . . . 0.28999999999999998 109.054 175.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.23 -48.7 32.75 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.899 -0.721 . . . . 4.4900000000000002 110.712 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.4 m -63.79 -31.44 72.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.176 -0.953 . . . . 1.1000000000000001 111.111 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' CD2' HG13 ' A' ' 30' ' ' ILE . 21.8 tp -87.7 -4.79 58.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.072 -1.017 . . . . 1.05 110.733 -177.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 43.47 95.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.725 -1.35 . . . . 0.20000000000000001 109.725 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.523 HG13 ' CD2' ' A' ' 28' ' ' LEU . 33.2 mm -115.78 138.72 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -1.148 . . . . 1.04 110.659 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.93 166.63 24.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.609 -0.682 . . . . 1.03 110.015 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 84.2 tt0 -53.39 146.32 12.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.097 -1.002 . . . . 1.0700000000000001 110.607 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 12.4 tttt 74.65 -4.61 2.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.673 -0.642 . . . . 2.5099999999999998 111.175 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.471 ' O ' HG21 ' B' ' 12' ' ' VAL . 91.0 m-20 -77.54 167.15 22.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.817 -1.177 . . . . 0.14999999999999999 110.0 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.24 131.37 52.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 1.04 110.702 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' ' CG1' ' B' ' 9' ' ' VAL . 12.9 mt -108.02 142.2 38.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.325 -0.859 . . . . 1.04 109.504 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' B' ' 9' ' ' VAL . 84.7 tt0 -106.45 138.81 41.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.822 -1.174 . . . . 1.1299999999999999 109.802 172.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.5 mt -112.47 133.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.4 -0.813 . . . . 1.5 110.524 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.547 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 14.7 m-85 -115.05 158.42 22.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 122.061 -0.399 . . . . 0.87 110.124 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.524 ' CG2' HG23 ' B' ' 6' ' ' THR . 93.0 t -130.34 121.85 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.922 -1.111 . . . . 1.0600000000000001 110.769 173.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' A' ' 46' ' ' ILE . 9.3 p-10 -147.32 145.15 29.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 1.21 110.155 176.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 52.8 t0 43.39 46.77 5.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.998 -1.064 . . . . 1.3799999999999999 111.112 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 95.7 mt-10 58.27 14.47 2.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.116 -0.99 . . . . 2.1200000000000001 110.64 176.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -120.1 148.63 43.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.923 . . . . 2.52 109.993 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 HD11 HG13 ' B' ' 20' ' ' ILE . 62.0 mt -99.15 129.52 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.197 -0.939 . . . . 1.1299999999999999 110.254 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' A' ' 39' ' ' TYR . 21.1 mt -109.26 115.8 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 1.77 110.122 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' B' ' 47' ' ' LEU . 4.3 mp -108.12 133.78 51.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 1.03 110.057 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' CE ' ' OH ' ' A' ' 39' ' ' TYR . 12.7 pttp -143.87 166.32 25.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.511 -0.743 . . . . 2.54 110.287 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -55.33 147.8 16.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.01 . . . . 2.1099999999999999 109.983 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.404 ' CD2' ' CG1' ' B' ' 9' ' ' VAL . 4.9 t80 -101.88 124.78 48.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.257 -0.902 . . . . 1.0 110.637 -175.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -99.5 123.1 49.4 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.408 -0.808 . . . . 3.6200000000000001 109.503 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -61.36 144.73 98.54 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 O-C-N 123.8 1.421 . . . . 0.85999999999999999 110.369 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.955 -1.022 . . . . 3.1299999999999999 110.238 -179.82 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.228 0.537 . . . . 10.35 110.209 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mtp -114.11 150.56 33.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 9.5899999999999999 110.19 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -91.5 141.05 29.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.271 -0.893 . . . . 7.4100000000000001 110.181 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p -73.88 161.15 30.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 3.4199999999999999 110.258 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.524 HG23 ' CG2' ' A' ' 40' ' ' VAL . 61.9 p -65.09 -34.24 77.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 2.3799999999999999 110.17 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.18 46.39 50.73 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.574 -1.41 . . . . 0.80000000000000004 109.574 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . 0.442 HD13 HG23 ' B' ' 8' ' ' ILE . 60.5 mt -115.83 134.93 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.095 -1.238 . . . . 1.8899999999999999 109.998 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 36' ' ' LEU . 92.8 t -117.22 144.04 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.929 -1.107 . . . . 1.0800000000000001 110.926 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' B' ' 11' ' ' LYS . 29.4 tpt180 -128.17 158.62 37.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.546 -0.721 . . . . 3.1299999999999999 109.862 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 11.8 ttpp -82.62 145.86 29.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.092 -1.005 . . . . 3.1200000000000001 110.383 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.497 ' CG2' ' HG ' ' A' ' 36' ' ' LEU . 3.7 t -81.99 129.19 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.27 -0.894 . . . . 1.04 109.8 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' B' ' 17' ' ' ARG . 0.3 OUTLIER -84.54 -174.87 5.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.078 -1.014 . . . . 0.17000000000000001 110.066 179.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.466 ' HG2' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -56.83 -39.22 73.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.1 -1.0 . . . . 2.0099999999999998 111.579 -172.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.521 ' CD2' ' HD3' ' B' ' 17' ' ' ARG . 15.4 tp -83.82 -6.09 59.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.736 -1.227 . . . . 1.1799999999999999 111.586 -174.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . 0.463 ' HA2' ' CG1' ' B' ' 12' ' ' VAL . . . 80.14 47.08 7.22 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.596 -1.402 . . . . 0.16 109.596 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.521 ' HD3' ' CD2' ' B' ' 15' ' ' LEU . 71.2 mtm180 -114.67 154.32 28.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.04 -1.271 . . . . 0.20000000000000001 109.997 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.506 HG23 ' CD2' ' A' ' 47' ' ' LEU . 17.0 m -124.32 153.56 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -0.871 . . . . 1.04 109.834 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' VAL . . . . . 0.535 HG23 ' CD ' ' A' ' 17' ' ' ARG . 20.1 t -111.37 135.2 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 1.0600000000000001 110.579 -175.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . 0.486 ' N ' HD12 ' B' ' 20' ' ' ILE . 1.7 mp -82.71 135.02 46.37 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 2.1699999999999999 109.54 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PRO . . . . . 0.522 ' HG2' ' CD1' ' B' ' 24' ' ' LEU . 9.2 Cg_endo -58.01 142.8 96.93 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 123.796 1.419 . . . . 0.32000000000000001 110.108 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . 0.531 ' CD1' ' HD2' ' B' ' 25' ' ' ARG . 11.2 tp -55.24 -32.96 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 1.7 110.341 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -57.68 -36.37 71.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.113 -0.992 . . . . 2.0600000000000001 109.761 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . 0.522 ' CD1' ' HG2' ' B' ' 21' ' ' PRO . 47.1 mt -82.25 -29.91 31.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.749 . . . . 1.1200000000000001 110.689 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.531 ' HD2' ' CD1' ' B' ' 22' ' ' ILE . 71.5 mtt180 -57.34 -43.96 83.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.809 -1.182 . . . . 0.28999999999999998 109.131 175.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.25 -48.89 31.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.429 -0.794 . . . . 4.5 110.624 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -63.53 -32.01 73.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 1.1000000000000001 110.887 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.521 ' CD2' HG13 ' B' ' 30' ' ' ILE . 22.0 tp -87.21 -5.2 59.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.053 -1.029 . . . . 1.0900000000000001 110.698 -176.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.41 43.27 95.19 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.55 -1.42 . . . . 0.19 109.55 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.521 HG13 ' CD2' ' B' ' 28' ' ' LEU . 32.7 mm -115.65 138.67 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.193 -1.181 . . . . 1.0 110.737 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' B' ' 34' ' ' ASP . . . -140.7 166.78 23.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.566 -0.709 . . . . 1.04 109.98 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 84.2 tt0 -53.5 146.34 12.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.142 -0.974 . . . . 1.0600000000000001 110.574 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' B' ' 32' ' ' GLU . 12.4 tttt 74.8 -4.81 2.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.672 -0.642 . . . . 2.5699999999999998 111.14 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' B' ' 31' ' ' ALA . 91.4 m-20 -77.57 166.91 22.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.793 -1.192 . . . . 0.14000000000000001 110.047 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -105.07 131.35 52.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.95999999999999996 110.802 -176.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.552 HD13 ' CG2' ' A' ' 12' ' ' VAL . 12.8 mt -108.11 142.01 38.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.378 -0.827 . . . . 1.03 109.554 175.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.46 ' HA ' HG23 ' A' ' 9' ' ' VAL . 84.6 tt0 -106.24 138.76 41.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.854 -1.154 . . . . 1.1399999999999999 109.926 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -112.39 133.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.373 -0.829 . . . . 1.53 110.507 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.548 ' HB2' ' HB ' ' B' ' 46' ' ' ILE . 14.5 m-85 -115.05 158.35 22.23 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 120.905 0.383 . . . . 0.64000000000000001 110.098 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.476 ' CG2' HG21 ' A' ' 6' ' ' THR . 91.7 t -130.05 122.12 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.901 -1.125 . . . . 1.0600000000000001 110.609 173.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.467 ' OD2' HD13 ' B' ' 46' ' ' ILE . 9.4 p-10 -147.76 145.08 28.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 1.22 110.195 176.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 53.7 t0 43.51 46.88 6.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 1.3700000000000001 111.041 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' B' ' 42' ' ' ASP . 95.6 mt-10 58.12 14.39 2.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.152 -0.968 . . . . 2.1000000000000001 110.63 176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -120.03 148.97 42.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 2.52 109.876 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.443 HD13 HG13 ' A' ' 20' ' ' ILE . 61.8 mt -99.31 129.51 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 1.1399999999999999 110.24 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.548 ' HB ' ' HB2' ' B' ' 39' ' ' TYR . 21.8 mt -109.43 115.75 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.465 -0.772 . . . . 1.76 110.116 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.587 ' CD1' ' CD1' ' A' ' 47' ' ' LEU . 4.4 mp -107.92 133.71 51.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.11 -0.994 . . . . 1.03 110.018 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.532 ' CE ' ' OH ' ' B' ' 39' ' ' TYR . 13.0 pttp -143.89 166.6 24.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.521 -0.737 . . . . 2.6200000000000001 110.183 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -55.43 147.74 16.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 2.1400000000000001 109.931 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' B' ' 52' ' ' PRO . 5.0 t80 -102.0 122.53 44.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 1.04 110.672 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -121.48 86.2 43.95 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 3.7599999999999998 110.229 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PRO . . . . . 0.577 ' HG3' ' CE2' ' B' ' 50' ' ' TYR . 38.6 Cg_exo -54.98 145.77 61.33 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.02 1.537 . . . . 2.5499999999999998 110.373 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.99 -1.005 . . . . 4.46 110.19 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.262 0.553 . . . . 10.46 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.8 mtm -98.81 138.5 35.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 8.46 110.153 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -92.18 134.88 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.907 . . . . 6.5 110.464 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' B' ' 39' ' ' TYR . 94.2 p -118.91 155.75 30.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 2.99 109.825 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.4 p -63.13 -34.35 77.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.079 -1.013 . . . . 2.05 110.22 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.34 46.06 51.37 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.624 -1.39 . . . . 0.69 109.624 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.86 134.99 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.238 . . . . 1.28 109.966 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.024 HG11 ' CD2' ' B' ' 50' ' ' TYR . 92.4 t -117.2 144.1 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.987 -1.071 . . . . 0.31 110.929 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 29.4 tpt180 -128.22 158.86 36.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 2.4 109.756 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 11.8 ttpp -82.76 146.02 29.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.999 . . . . 2.74 110.324 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.93 HG22 HD11 ' B' ' 36' ' ' LEU . 3.7 t -82.11 128.98 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.347 -0.846 . . . . 0.16 109.85 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -84.3 -175.07 5.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.143 -0.973 . . . . 0.18 109.971 179.398 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.68 -39.3 73.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.032 -1.042 . . . . 2.02 111.652 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.886 HD23 ' HD3' ' A' ' 17' ' ' ARG . 15.7 tp -83.83 -5.97 59.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.765 -1.209 . . . . 0.47 111.535 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' HA2' ' CG1' ' A' ' 12' ' ' VAL . . . 80.41 46.45 7.43 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.172 -1.49 . . . . 0.16 109.713 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.919 ' CD ' HG22 ' B' ' 19' ' ' VAL . 71.3 mtm180 -114.52 154.3 28.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.053 -1.263 . . . . 0.19 110.005 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.833 HG12 HD13 ' B' ' 36' ' ' LEU . 17.0 m -124.29 153.55 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.14 109.838 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.918 HG22 ' CD ' ' B' ' 17' ' ' ARG . 20.2 t -111.33 135.23 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.19 110.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -82.68 135.06 46.43 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 1.53 109.551 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 24' ' ' LEU . 9.2 Cg_endo -57.98 142.89 96.89 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 123.773 1.407 . . . . 0.29 110.0 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.868 HD12 ' HD2' ' A' ' 25' ' ' ARG . 11.2 tp -55.19 -33.09 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.997 -1.065 . . . . 1.07 110.376 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.91 -35.54 71.21 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.174 -0.953 . . . . 2.06 109.902 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' CD1' ' HG2' ' A' ' 21' ' ' PRO . 47.5 mt -83.09 -29.52 28.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.839 . . . . 0.35 110.66 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.868 ' HD2' HD12 ' A' ' 22' ' ' ILE . 71.8 mtt180 -57.5 -44.14 84.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.827 -1.17 . . . . 0.27 109.054 175.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.23 -48.7 32.75 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.899 -0.721 . . . . 3.95 110.712 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.4 m -63.79 -31.44 72.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.176 -0.953 . . . . 0.27 111.111 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD23 HG13 ' A' ' 30' ' ' ILE . 21.8 tp -87.7 -4.79 58.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.072 -1.017 . . . . 0.24 110.733 -177.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 30' ' ' ILE . . . 65.01 43.47 95.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.725 -1.35 . . . . 0.18 109.725 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.919 HG13 HD23 ' A' ' 28' ' ' LEU . 33.2 mm -115.78 138.72 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -1.148 . . . . 0.16 110.659 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.93 166.63 24.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.609 -0.682 . . . . 0.16 110.015 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 84.2 tt0 -53.39 146.32 12.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.097 -1.002 . . . . 1.07 110.607 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 12.4 tttt 74.65 -4.61 2.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.673 -0.642 . . . . 2.03 111.175 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.768 ' O ' HG23 ' B' ' 12' ' ' VAL . 91.0 m-20 -77.54 167.15 22.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.817 -1.177 . . . . 0.15 110.0 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 50' ' ' TYR . . . -105.24 131.37 52.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 0.16 110.702 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.936 ' O ' HG13 ' B' ' 9' ' ' VAL . 12.9 mt -108.02 142.2 38.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.325 -0.859 . . . . 0.17 109.504 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.666 ' HA ' HG22 ' B' ' 9' ' ' VAL . 84.7 tt0 -106.45 138.81 41.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.822 -1.174 . . . . 1.13 109.802 172.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.5 mt -112.47 133.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.4 -0.813 . . . . 0.86 110.524 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 14.7 m-85 -115.05 158.42 22.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 122.061 -0.399 . . . . 0.37 110.124 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG21 HG21 ' B' ' 6' ' ' THR . 93.0 t -130.34 121.85 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.922 -1.111 . . . . 0.22 110.769 173.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' OD2' HD11 ' A' ' 46' ' ' ILE . 9.3 p-10 -147.32 145.15 29.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 1.21 110.155 176.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 52.8 t0 43.39 46.77 5.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.998 -1.064 . . . . 1.38 111.112 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 95.7 mt-10 58.27 14.47 2.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.116 -0.99 . . . . 2.12 110.64 176.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -120.1 148.63 43.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.923 . . . . 1.81 109.993 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.585 HD13 HG13 ' B' ' 20' ' ' ILE . 62.0 mt -99.15 129.52 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.197 -0.939 . . . . 0.39 110.254 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.593 ' HB ' ' HB2' ' A' ' 39' ' ' TYR . 21.1 mt -109.26 115.8 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 1.11 110.122 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.835 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.3 mp -108.12 133.78 51.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.16 110.057 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' CE ' ' OH ' ' A' ' 39' ' ' TYR . 12.7 pttp -143.87 166.32 25.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.511 -0.743 . . . . 2.11 110.287 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -55.33 147.8 16.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.01 . . . . 1.61 109.983 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.885 ' CD2' HG11 ' B' ' 9' ' ' VAL . 4.9 t80 -101.88 124.78 48.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.257 -0.902 . . . . 0.34 110.637 -175.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -99.5 123.1 49.4 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.408 -0.808 . . . . 3.28 109.503 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -61.36 144.73 98.54 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 O-C-N 123.8 1.421 . . . . 0.68 110.369 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.955 -1.022 . . . . 2.54 110.238 -179.82 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.228 0.537 . . . . 9.73 110.209 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mtp -114.11 150.56 33.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 9.2 110.19 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -91.5 141.05 29.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.271 -0.893 . . . . 7.1 110.181 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p -73.88 161.15 30.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 3.08 110.258 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.575 HG21 HG21 ' A' ' 40' ' ' VAL . 61.9 p -65.09 -34.24 77.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 2.06 110.17 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.18 46.39 50.73 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.574 -1.41 . . . . 0.73 109.574 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt -115.83 134.93 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.095 -1.238 . . . . 1.29 109.998 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.936 HG13 ' O ' ' A' ' 36' ' ' LEU . 92.8 t -117.22 144.04 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.929 -1.107 . . . . 0.32 110.926 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' B' ' 11' ' ' LYS . 29.4 tpt180 -128.17 158.62 37.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.546 -0.721 . . . . 2.39 109.862 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 11.8 ttpp -82.62 145.86 29.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.092 -1.005 . . . . 2.74 110.383 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.918 HG22 ' CD1' ' A' ' 36' ' ' LEU . 3.7 t -81.99 129.19 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.27 -0.894 . . . . 0.15 109.8 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' B' ' 17' ' ' ARG . 0.3 OUTLIER -84.54 -174.87 5.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.078 -1.014 . . . . 0.17 110.066 179.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.486 ' HG2' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -56.83 -39.22 73.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.1 -1.0 . . . . 2.01 111.579 -172.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.902 HD23 ' HD3' ' B' ' 17' ' ' ARG . 15.4 tp -83.82 -6.09 59.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.736 -1.227 . . . . 0.47 111.586 -174.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . 0.468 ' HA2' ' CG1' ' B' ' 12' ' ' VAL . . . 80.14 47.08 7.22 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.596 -1.402 . . . . 0.15 109.596 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.918 ' CD ' HG22 ' A' ' 19' ' ' VAL . 71.2 mtm180 -114.67 154.32 28.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.04 -1.271 . . . . 0.19 109.997 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.835 HG12 HD13 ' A' ' 36' ' ' LEU . 17.0 m -124.32 153.56 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -0.871 . . . . 0.14 109.834 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' VAL . . . . . 0.919 HG22 ' CD ' ' A' ' 17' ' ' ARG . 20.1 t -111.37 135.2 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.18 110.579 -175.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . 0.585 HG13 HD13 ' A' ' 45' ' ' ILE . 1.7 mp -82.71 135.02 46.37 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 1.53 109.54 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' B' ' 24' ' ' LEU . 9.2 Cg_endo -58.01 142.8 96.93 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 123.796 1.419 . . . . 0.28 110.108 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.864 HD12 ' HD2' ' B' ' 25' ' ' ARG . 11.2 tp -55.24 -32.96 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 1.07 110.341 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' ' 22' ' ' ILE . 84.3 tt0 -57.68 -36.37 71.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.113 -0.992 . . . . 2.06 109.761 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . 0.56 ' HB2' HG23 ' B' ' 20' ' ' ILE . 47.1 mt -82.25 -29.91 31.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.749 . . . . 0.34 110.689 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.864 ' HD2' HD12 ' B' ' 22' ' ' ILE . 71.5 mtt180 -57.34 -43.96 83.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.809 -1.182 . . . . 0.27 109.131 175.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.25 -48.89 31.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.429 -0.794 . . . . 3.96 110.624 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -63.53 -32.01 73.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.25 110.887 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.927 HD23 HG13 ' B' ' 30' ' ' ILE . 22.0 tp -87.21 -5.2 59.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.053 -1.029 . . . . 0.23 110.698 -176.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.417 ' O ' HD13 ' B' ' 30' ' ' ILE . . . 65.41 43.27 95.19 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.55 -1.42 . . . . 0.17 109.55 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.927 HG13 HD23 ' B' ' 28' ' ' LEU . 32.7 mm -115.65 138.67 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.193 -1.181 . . . . 0.15 110.737 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.7 166.78 23.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.566 -0.709 . . . . 0.15 109.98 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 84.2 tt0 -53.5 146.34 12.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.142 -0.974 . . . . 1.06 110.574 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 12.4 tttt 74.8 -4.81 2.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.672 -0.642 . . . . 2.02 111.14 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASP . . . . . 0.676 ' O ' HG23 ' A' ' 12' ' ' VAL . 91.4 m-20 -77.57 166.91 22.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.793 -1.192 . . . . 0.14 110.047 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.685 ' HB1' ' HD2' ' B' ' 50' ' ' TYR . . . -105.07 131.35 52.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.15 110.802 -176.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 12' ' ' VAL . 12.8 mt -108.11 142.01 38.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.378 -0.827 . . . . 0.17 109.554 175.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.659 ' HA ' HG22 ' A' ' 9' ' ' VAL . 84.6 tt0 -106.24 138.76 41.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.854 -1.154 . . . . 1.14 109.926 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -112.39 133.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.373 -0.829 . . . . 0.86 110.507 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' B' ' 46' ' ' ILE . 14.5 m-85 -115.05 158.35 22.23 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 120.905 0.383 . . . . 0.37 110.098 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -130.05 122.12 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.901 -1.125 . . . . 0.23 110.609 173.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.571 ' OD2' HD11 ' B' ' 46' ' ' ILE . 9.4 p-10 -147.76 145.08 28.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 1.22 110.195 176.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 53.7 t0 43.51 46.88 6.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 1.37 111.041 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 42' ' ' ASP . 95.6 mt-10 58.12 14.39 2.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.152 -0.968 . . . . 2.1 110.63 176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -120.03 148.97 42.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 1.81 109.876 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.493 HD13 HG13 ' A' ' 20' ' ' ILE . 61.8 mt -99.31 129.51 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.39 110.24 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' B' ' 39' ' ' TYR . 21.8 mt -109.43 115.75 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.465 -0.772 . . . . 1.11 110.116 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.838 HD12 ' N ' ' B' ' 47' ' ' LEU . 4.4 mp -107.92 133.71 51.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.11 -0.994 . . . . 0.16 110.018 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' B' ' 39' ' ' TYR . 13.0 pttp -143.89 166.6 24.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.521 -0.737 . . . . 2.11 110.183 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -55.43 147.74 16.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 1.6 109.931 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . 1.024 ' CD2' HG11 ' A' ' 9' ' ' VAL . 5.0 t80 -102.0 122.53 44.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.37 110.672 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -121.48 86.2 43.95 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 3.32 110.229 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PRO . . . . . 0.584 ' HG3' ' CE2' ' B' ' 50' ' ' TYR . 38.6 Cg_exo -54.98 145.77 61.33 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.02 1.537 . . . . 2.0 110.373 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.99 -1.005 . . . . 3.91 110.19 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.9 p90 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.262 0.553 . . . . 10.46 110.203 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.8 mtm -98.81 138.5 35.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 8.46 110.153 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -92.18 134.88 34.45 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.248 -0.907 . . . . 6.5 110.464 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.512 ' CB ' ' CD2' ' B' ' 39' ' ' TYR . 94.2 p -118.91 155.75 30.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.327 -0.858 . . . . 2.99 109.825 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.4 p -63.13 -34.35 77.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.079 -1.013 . . . . 2.05 110.22 -178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.34 46.06 51.37 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.624 -1.39 . . . . 0.69 109.624 178.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.1 mt -115.86 134.99 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.096 -1.238 . . . . 1.28 109.966 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.024 HG11 ' CD2' ' B' ' 50' ' ' TYR . 92.4 t -117.2 144.1 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 120.987 -1.071 . . . . 0.31 110.929 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 29.4 tpt180 -128.22 158.86 36.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 2.4 109.756 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' ARG . 11.8 ttpp -82.76 146.02 29.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.999 . . . . 2.74 110.324 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.93 HG22 HD11 ' B' ' 36' ' ' LEU . 3.7 t -82.11 128.98 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.347 -0.846 . . . . 0.16 109.85 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.452 ' OD1' ' HB2' ' A' ' 17' ' ' ARG . 0.3 OUTLIER -84.3 -175.07 5.63 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.143 -0.973 . . . . 0.18 109.971 179.398 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.68 -39.3 73.54 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.032 -1.042 . . . . 2.02 111.652 -172.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.886 HD23 ' HD3' ' A' ' 17' ' ' ARG . 15.7 tp -83.83 -5.97 59.32 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.765 -1.209 . . . . 0.47 111.535 -174.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.465 ' HA2' ' CG1' ' A' ' 12' ' ' VAL . . . 80.41 46.45 7.43 Favored Glycine 0 N--CA 1.491 2.337 0 C-N-CA 119.172 -1.49 . . . . 0.16 109.713 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.919 ' CD ' HG22 ' B' ' 19' ' ' VAL . 71.3 mtm180 -114.52 154.3 28.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.053 -1.263 . . . . 0.19 110.005 -177.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.833 HG12 HD13 ' B' ' 36' ' ' LEU . 17.0 m -124.29 153.55 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.271 -0.893 . . . . 0.14 109.838 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.918 HG22 ' CD ' ' B' ' 17' ' ' ARG . 20.2 t -111.33 135.23 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.19 110.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.547 HG23 ' HB2' ' A' ' 24' ' ' LEU . 1.7 mp -82.68 135.06 46.43 Favored Pre-proline 0 N--CA 1.489 1.476 0 O-C-N 121.216 -0.927 . . . . 1.53 109.551 175.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.549 ' HG2' ' CD1' ' A' ' 24' ' ' LEU . 9.2 Cg_endo -57.98 142.89 96.89 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 O-C-N 123.773 1.407 . . . . 0.29 110.0 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.868 HD12 ' HD2' ' A' ' 25' ' ' ARG . 11.2 tp -55.19 -33.09 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 120.997 -1.065 . . . . 1.07 110.376 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.91 -35.54 71.21 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.174 -0.953 . . . . 2.06 109.902 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 ' CD1' ' HG2' ' A' ' 21' ' ' PRO . 47.5 mt -83.09 -29.52 28.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.358 -0.839 . . . . 0.35 110.66 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.868 ' HD2' HD12 ' A' ' 22' ' ' ILE . 71.8 mtt180 -57.5 -44.14 84.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.827 -1.17 . . . . 0.27 109.054 175.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.23 -48.7 32.75 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 119.899 -0.721 . . . . 3.95 110.712 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.4 m -63.79 -31.44 72.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.176 -0.953 . . . . 0.27 111.111 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD23 HG13 ' A' ' 30' ' ' ILE . 21.8 tp -87.7 -4.79 58.9 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.072 -1.017 . . . . 0.24 110.733 -177.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 30' ' ' ILE . . . 65.01 43.47 95.81 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.725 -1.35 . . . . 0.18 109.725 179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.919 HG13 HD23 ' A' ' 28' ' ' LEU . 33.2 mm -115.78 138.72 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.249 -1.148 . . . . 0.16 110.659 -178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.93 166.63 24.24 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.609 -0.682 . . . . 0.16 110.015 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 84.2 tt0 -53.39 146.32 12.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.097 -1.002 . . . . 1.07 110.607 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 12.4 tttt 74.65 -4.61 2.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.673 -0.642 . . . . 2.03 111.175 176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.768 ' O ' HG23 ' B' ' 12' ' ' VAL . 91.0 m-20 -77.54 167.15 22.1 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.817 -1.177 . . . . 0.15 110.0 174.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.684 ' HB1' ' HD2' ' A' ' 50' ' ' TYR . . . -105.24 131.37 52.79 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.181 -0.95 . . . . 0.16 110.702 -176.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.936 ' O ' HG13 ' B' ' 9' ' ' VAL . 12.9 mt -108.02 142.2 38.53 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.325 -0.859 . . . . 0.17 109.504 175.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.666 ' HA ' HG22 ' B' ' 9' ' ' VAL . 84.7 tt0 -106.45 138.81 41.95 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.822 -1.174 . . . . 1.13 109.802 172.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.5 mt -112.47 133.95 56.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.4 -0.813 . . . . 0.86 110.524 -174.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.593 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 14.7 m-85 -115.05 158.42 22.14 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 122.061 -0.399 . . . . 0.37 110.124 -178.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.575 HG21 HG21 ' B' ' 6' ' ' THR . 93.0 t -130.34 121.85 52.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.922 -1.111 . . . . 0.22 110.769 173.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.577 ' OD2' HD11 ' A' ' 46' ' ' ILE . 9.3 p-10 -147.32 145.15 29.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.253 -0.904 . . . . 1.21 110.155 176.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 52.8 t0 43.39 46.77 5.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.998 -1.064 . . . . 1.38 111.112 174.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 42' ' ' ASP . 95.7 mt-10 58.27 14.47 2.86 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.116 -0.99 . . . . 2.12 110.64 176.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -120.1 148.63 43.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.222 -0.923 . . . . 1.81 109.993 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.585 HD13 HG13 ' B' ' 20' ' ' ILE . 62.0 mt -99.15 129.52 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.197 -0.939 . . . . 0.39 110.254 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.593 ' HB ' ' HB2' ' A' ' 39' ' ' TYR . 21.1 mt -109.26 115.8 50.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.4 -0.813 . . . . 1.11 110.122 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.835 ' N ' HD12 ' A' ' 47' ' ' LEU . 4.3 mp -108.12 133.78 51.91 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.16 110.057 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' CE ' ' OH ' ' A' ' 39' ' ' TYR . 12.7 pttp -143.87 166.32 25.26 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.511 -0.743 . . . . 2.11 110.287 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -55.33 147.8 16.25 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.084 -1.01 . . . . 1.61 109.983 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.885 ' CD2' HG11 ' B' ' 9' ' ' VAL . 4.9 t80 -101.88 124.78 48.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.257 -0.902 . . . . 0.34 110.637 -175.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -99.5 123.1 49.4 Favored Pre-proline 0 N--CA 1.489 1.516 0 O-C-N 121.408 -0.808 . . . . 3.28 109.503 173.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -61.36 144.73 98.54 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 O-C-N 123.8 1.421 . . . . 0.68 110.369 -178.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.955 -1.022 . . . . 2.54 110.238 -179.82 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.228 0.537 . . . . 9.73 110.209 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' MET . . . . . . . . . . . . . 88.6 mtp -114.11 150.56 33.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.246 -0.909 . . . . 9.2 110.19 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -91.5 141.05 29.15 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.271 -0.893 . . . . 7.1 110.181 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 56.7 p -73.88 161.15 30.45 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.246 -0.909 . . . . 3.08 110.258 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.575 HG21 HG21 ' A' ' 40' ' ' VAL . 61.9 p -65.09 -34.24 77.95 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.276 -0.89 . . . . 2.06 110.17 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.18 46.39 50.73 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.574 -1.41 . . . . 0.73 109.574 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt -115.83 134.93 57.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.095 -1.238 . . . . 1.29 109.998 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.936 HG13 ' O ' ' A' ' 36' ' ' LEU . 92.8 t -117.22 144.04 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.929 -1.107 . . . . 0.32 110.926 -175.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' B' ' 11' ' ' LYS . 29.4 tpt180 -128.17 158.62 37.57 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.546 -0.721 . . . . 2.39 109.862 178.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' B' ' 10' ' ' ARG . 11.8 ttpp -82.62 145.86 29.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.092 -1.005 . . . . 2.74 110.383 -179.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.918 HG22 ' CD1' ' A' ' 36' ' ' LEU . 3.7 t -81.99 129.19 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.27 -0.894 . . . . 0.15 109.8 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' B' ' 17' ' ' ARG . 0.3 OUTLIER -84.54 -174.87 5.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.078 -1.014 . . . . 0.17 110.066 179.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.486 ' HG2' ' OE2' ' A' ' 32' ' ' GLU . 97.0 mt-10 -56.83 -39.22 73.83 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.1 -1.0 . . . . 2.01 111.579 -172.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.902 HD23 ' HD3' ' B' ' 17' ' ' ARG . 15.4 tp -83.82 -6.09 59.35 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.736 -1.227 . . . . 0.47 111.586 -174.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . 0.468 ' HA2' ' CG1' ' B' ' 12' ' ' VAL . . . 80.14 47.08 7.22 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.596 -1.402 . . . . 0.15 109.596 -177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.918 ' CD ' HG22 ' A' ' 19' ' ' VAL . 71.2 mtm180 -114.67 154.32 28.63 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.04 -1.271 . . . . 0.19 109.997 -178.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.835 HG12 HD13 ' A' ' 36' ' ' LEU . 17.0 m -124.32 153.56 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.306 -0.871 . . . . 0.14 109.834 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' VAL . . . . . 0.919 HG22 ' CD ' ' A' ' 17' ' ' ARG . 20.1 t -111.37 135.2 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.13 -0.981 . . . . 0.18 110.579 -175.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.585 HG13 HD13 ' A' ' 45' ' ' ILE . 1.7 mp -82.71 135.02 46.37 Favored Pre-proline 0 N--CA 1.489 1.475 0 O-C-N 121.234 -0.916 . . . . 1.53 109.54 175.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PRO . . . . . 0.541 ' HG2' ' CD1' ' B' ' 24' ' ' LEU . 9.2 Cg_endo -58.01 142.8 96.93 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 123.796 1.419 . . . . 0.28 110.108 177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.864 HD12 ' HD2' ' B' ' 25' ' ' ARG . 11.2 tp -55.24 -32.96 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.075 -1.016 . . . . 1.07 110.341 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.401 ' N ' HG23 ' B' ' 22' ' ' ILE . 84.3 tt0 -57.68 -36.37 71.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.113 -0.992 . . . . 2.06 109.761 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.56 ' HB2' HG23 ' B' ' 20' ' ' ILE . 47.1 mt -82.25 -29.91 31.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.501 -0.749 . . . . 0.34 110.689 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.864 ' HD2' HD12 ' B' ' 22' ' ' ILE . 71.5 mtt180 -57.34 -43.96 83.86 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.809 -1.182 . . . . 0.27 109.131 175.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -73.25 -48.89 31.09 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.429 -0.794 . . . . 3.96 110.624 -178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 49.3 m -63.53 -32.01 73.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.305 -0.872 . . . . 0.25 110.887 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.927 HD23 HG13 ' B' ' 30' ' ' ILE . 22.0 tp -87.21 -5.2 59.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.053 -1.029 . . . . 0.23 110.698 -176.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.417 ' O ' HD13 ' B' ' 30' ' ' ILE . . . 65.41 43.27 95.19 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.55 -1.42 . . . . 0.17 109.55 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.927 HG13 HD23 ' B' ' 28' ' ' LEU . 32.7 mm -115.65 138.67 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.193 -1.181 . . . . 0.15 110.737 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.7 166.78 23.82 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.566 -0.709 . . . . 0.15 109.98 -178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.529 ' O ' ' HB3' ' B' ' 33' ' ' LYS . 84.2 tt0 -53.5 146.34 12.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.142 -0.974 . . . . 1.06 110.574 -179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.529 ' HB3' ' O ' ' B' ' 32' ' ' GLU . 12.4 tttt 74.8 -4.81 2.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.672 -0.642 . . . . 2.02 111.14 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . 0.676 ' O ' HG23 ' A' ' 12' ' ' VAL . 91.4 m-20 -77.57 166.91 22.45 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.793 -1.192 . . . . 0.14 110.047 174.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.685 ' HB1' ' HD2' ' B' ' 50' ' ' TYR . . . -105.07 131.35 52.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.15 110.802 -176.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.93 HD11 HG22 ' A' ' 12' ' ' VAL . 12.8 mt -108.11 142.01 38.96 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.378 -0.827 . . . . 0.17 109.554 175.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.659 ' HA ' HG22 ' A' ' 9' ' ' VAL . 84.6 tt0 -106.24 138.76 41.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.854 -1.154 . . . . 1.14 109.926 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -112.39 133.96 56.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.373 -0.829 . . . . 0.86 110.507 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' B' ' 46' ' ' ILE . 14.5 m-85 -115.05 158.35 22.23 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 120.905 0.383 . . . . 0.37 110.098 -178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -130.05 122.12 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.901 -1.125 . . . . 0.23 110.609 173.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.571 ' OD2' HD11 ' B' ' 46' ' ' ILE . 9.4 p-10 -147.76 145.08 28.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 1.22 110.195 176.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 43' ' ' GLU . 53.7 t0 43.51 46.88 6.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 1.37 111.041 174.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' B' ' 42' ' ' ASP . 95.6 mt-10 58.12 14.39 2.71 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.152 -0.968 . . . . 2.1 110.63 176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -120.03 148.97 42.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.265 -0.897 . . . . 1.81 109.876 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.493 HD13 HG13 ' A' ' 20' ' ' ILE . 61.8 mt -99.31 129.51 49.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.158 -0.964 . . . . 0.39 110.24 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' B' ' 39' ' ' TYR . 21.8 mt -109.43 115.75 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.465 -0.772 . . . . 1.11 110.116 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.838 HD12 ' N ' ' B' ' 47' ' ' LEU . 4.4 mp -107.92 133.71 51.88 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.11 -0.994 . . . . 0.16 110.018 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.548 ' HE3' ' CE1' ' B' ' 39' ' ' TYR . 13.0 pttp -143.89 166.6 24.49 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.521 -0.737 . . . . 2.11 110.183 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -55.43 147.74 16.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.097 -1.002 . . . . 1.6 109.931 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . 1.024 ' CD2' HG11 ' A' ' 9' ' ' VAL . 5.0 t80 -102.0 122.53 44.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.27 -0.894 . . . . 0.37 110.672 -175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -121.48 86.2 43.95 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.201 -0.937 . . . . 3.32 110.229 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PRO . . . . . 0.584 ' HG3' ' CE2' ' B' ' 50' ' ' TYR . 38.6 Cg_exo -54.98 145.77 61.33 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 O-C-N 124.02 1.537 . . . . 2.0 110.373 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 117.99 -1.005 . . . . 3.91 110.19 179.898 . . . . . . . . 0 0 . 1 stop_ save_