data_1iob_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 1iob _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' ' ' ALA . . . . . 0.573 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 111.723 0.268 . . . . 86.189999999999998 111.723 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 1' ' ' ALA . 7.1 Cg_endo -76.47 36.39 0.51 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.147 1.898 . . . . 77.819999999999993 110.122 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.2 134.3 65.0 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.324 -0.95 . . . . 54.909999999999997 110.596 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.68 119.32 33.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 124.484 1.115 . . . . 44.0 108.937 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -111.88 177.99 4.47 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 114.568 -1.196 . . . . 43.619999999999997 108.737 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.11 118.69 1.07 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.574 -1.194 . . . . 38.770000000000003 108.379 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -81.6 145.4 30.64 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.331 -1.348 . . . . 51.990000000000002 110.249 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.5 p -170.67 167.61 7.76 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.029 -1.468 . . . . 26.079999999999998 111.285 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -124.64 159.74 30.09 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 104.434 -2.432 . . . . 21.27 104.434 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.72 145.28 47.66 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 125.066 1.479 . . . . 29.57 107.111 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -136.19 132.82 36.43 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 104.608 -2.367 . . . . 43.270000000000003 104.608 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 7.7 p30 -72.08 172.93 9.2 Favored 'General case' 0 N--CA 1.509 2.49 0 C-N-CA 117.644 -1.622 . . . . 28.199999999999999 111.054 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 109' ' ' LYS . 50.9 p -68.57 -13.71 62.52 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.144 -1.023 . . . . 30.530000000000001 112.287 -173.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -92.07 2.4 56.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 125.445 1.715 . . . . 48.990000000000002 107.664 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 75.83 26.69 1.02 Allowed 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 113.457 -1.701 . . . . 34.079999999999998 113.203 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -90.43 147.33 23.5 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.838 -1.545 . . . . 24.449999999999999 107.96 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -101.82 155.19 18.29 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 124.958 1.411 . . . . 27.239999999999998 109.573 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -97.64 141.57 30.52 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.994 0.902 . . . . 29.690000000000001 110.922 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.54 145.54 23.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 122.789 1.281 . . . . 29.010000000000002 109.289 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.567 ' N ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -66.28 117.05 8.0 Favored 'General case' 0 C--N 1.283 -2.325 0 CA-C-N 114.041 -1.436 . . . . 70.340000000000003 111.539 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.67 ' OG ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -82.97 -87.74 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 115.314 -0.857 . . . . 59.350000000000001 109.116 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.67 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -88.05 -159.87 35.1 Favored Glycine 0 C--N 1.298 -1.548 0 N-CA-C 106.946 -2.462 . . . . 53.280000000000001 106.946 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -77.0 -13.49 17.35 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.604 2.203 . . . . 52.57 109.886 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -142.07 31.07 1.59 Allowed 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.695 -2.048 . . . . 61.899999999999999 111.844 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.32 144.49 38.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 124.013 0.821 . . . . 62.759999999999998 112.897 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 mt -112.54 144.31 42.22 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 125.66 1.85 . . . . 27.050000000000001 107.976 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 150.42 49.57 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.898 -1.046 . . . . 47.579999999999998 108.189 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.67 125.34 54.19 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.127 -1.064 . . . . 21.84 108.127 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -148.52 155.02 40.6 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.348 -1.341 . . . . 39.700000000000003 111.012 178.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -69.1 103.73 1.96 Allowed 'General case' 0 C--O 1.207 -1.158 0 O-C-N 125.744 1.902 . . . . 27.5 110.056 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -115.63 143.45 45.33 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.554 -1.657 . . . . 42.310000000000002 107.862 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -158.73 146.04 17.66 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 117.707 -1.597 . . . . 68.920000000000002 111.826 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.37 -139.28 14.88 Favored Glycine 0 C--N 1.295 -1.725 0 C-N-CA 118.142 -1.98 . . . . 60.289999999999999 112.756 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 34' ' ' GLN . 26.4 mp0 -76.19 -29.16 57.56 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 113.557 -1.322 . . . . 77.170000000000002 107.996 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -63.94 -6.41 6.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 113.293 -1.776 . . . . 69.299999999999997 109.149 -177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -70.14 7.45 0.98 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 114.663 -1.153 . . . . 60.939999999999998 109.328 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -77.29 -33.57 55.7 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.919 -1.037 . . . . 90.680000000000007 110.625 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 19.05 0.14 Allowed 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.58 -1.248 . . . . 62.520000000000003 110.125 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -88.18 136.95 32.74 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.649 -1.614 . . . . 41.020000000000003 111.739 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 t -79.11 136.71 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-O 123.311 1.529 . . . . 32.899999999999999 114.106 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.04 124.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.045 0 CA-C-N 112.633 -2.076 . . . . 18.850000000000001 108.569 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -99.6 157.28 16.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 123.237 1.494 . . . . 22.239999999999998 110.985 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -113.11 113.6 25.63 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 101.422 -3.548 . . . . 28.969999999999999 101.422 170.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.5 ttm -95.41 124.89 39.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.926 -1.138 . . . . 28.34 107.926 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.6 m -111.97 133.28 54.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 125.211 1.569 . . . . 26.510000000000002 110.714 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.13 106.95 18.23 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.582 -1.266 . . . . 25.079999999999998 107.582 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -104.93 -174.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 114.729 -1.123 . . . . 35.810000000000002 111.676 -177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.598 ' OE1' ' NZ ' ' A' ' 94' ' ' LYS . 10.7 mt-30 -81.12 141.45 34.26 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.601 -1.636 . . . . 63.560000000000002 111.454 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.23 -165.65 39.06 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.686 -2.165 . . . . 48.149999999999999 107.686 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -91.23 94.37 9.52 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 117.865 -1.534 . . . . 87.010000000000005 110.794 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.91 158.85 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.962 -1.472 . . . . 76.900000000000006 112.091 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 53' ' ' ASN . 42.7 t -159.28 179.89 8.57 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.45 -1.25 . . . . 75.519999999999996 108.78 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.14 -32.35 56.32 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.117 -1.438 . . . . 93.299999999999997 107.117 179.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.604 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -106.6 -13.18 15.37 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.891 -1.504 . . . . 71.819999999999993 112.395 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -123.8 125.54 44.87 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 122.439 1.114 . . . . 51.609999999999999 112.331 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.6 mm -127.34 115.57 21.48 Favored Pre-proline 0 C--N 1.292 -1.917 0 CA-C-N 114.612 -1.176 . . . . 42.32 108.333 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -67.69 131.06 23.36 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 CA-C-O 121.52 0.55 . . . . 28.649999999999999 111.002 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.78 163.09 31.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 C-N-CA 118.4 -1.32 . . . . 20.329999999999998 108.555 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.94 147.65 39.74 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 126.293 2.246 . . . . 20.390000000000001 106.0 170.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.43 110.07 14.65 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 122.247 1.023 . . . . 22.440000000000001 109.551 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.77 162.23 13.1 Favored Glycine 0 C--N 1.292 -1.914 0 N-CA-C 108.489 -1.845 . . . . 21.210000000000001 108.489 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.54 143.52 33.18 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 106.343 -1.725 . . . . 23.809999999999999 106.343 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.19 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 116.718 2.118 . . . . 49.280000000000001 116.718 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -113.83 33.03 5.44 Favored 'General case' 0 N--CA 1.509 2.505 0 C-N-CA 118.747 -1.181 . . . . 70.739999999999995 112.64 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -124.03 150.48 44.87 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 115.581 -0.736 . . . . 37.719999999999999 109.777 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 85' ' ' VAL . 24.2 p-10 -87.32 58.14 4.83 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.213 -1.395 . . . . 25.309999999999999 109.76 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 77.5 mt -123.29 130.56 52.91 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 114.138 -1.392 . . . . 19.829999999999998 109.193 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -127.21 145.97 50.58 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 124.039 0.837 . . . . 29.5 112.249 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.79 128.79 35.89 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.105 -1.072 . . . . 22.949999999999999 108.105 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 p -138.6 155.93 47.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.067 -1.453 . . . . 25.34 109.814 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.75 120.56 39.71 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.919 -1.491 . . . . 24.91 108.627 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.02 164.78 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 115.034 -0.985 . . . . 25.800000000000001 110.599 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.1 mt -83.97 130.65 34.88 Favored 'General case' 0 C--N 1.286 -2.173 0 C-N-CA 116.829 -1.949 . . . . 41.789999999999999 109.581 173.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 6.2 mptt -135.48 96.87 3.55 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 106.046 -1.835 . . . . 58.130000000000003 106.046 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER 85.57 35.0 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 114.596 -1.183 . . . . 83.969999999999999 108.582 -178.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 71.84 -0.52 3.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 115.872 -0.604 . . . . 77.700000000000003 109.881 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' CD ' ' O ' ' A' ' 78' ' ' PRO . 1.6 tmtt? -109.13 131.83 21.58 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 118.939 -1.105 . . . . 59.75 110.573 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.548 ' O ' ' CD ' ' A' ' 77' ' ' LYS . 37.0 Cg_exo -55.99 124.16 15.59 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.829 1.686 . . . . 37.200000000000003 109.09 173.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.259 1.6 m -134.55 144.05 47.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.443 -0.798 . . . . 31.690000000000001 111.604 -173.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -90.89 129.26 36.95 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.373 -0.973 . . . . 23.059999999999999 108.373 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -136.08 155.08 50.73 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 117.888 -1.525 . . . . 46.640000000000001 112.875 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.8 mt -89.92 123.39 33.81 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.039 -1.837 . . . . 27.649999999999999 106.039 170.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -116.1 126.3 53.54 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 114.415 -1.266 . . . . 36.539999999999999 110.932 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.8 p -79.7 144.63 33.52 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.855 -1.165 . . . . 33.969999999999999 107.855 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.477 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 15.5 m -133.8 168.25 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 119.156 -1.018 . . . . 20.239999999999998 109.685 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' OD2' ' N ' ' A' ' 88' ' ' LYS . 21.5 t70 -59.46 117.72 24.84 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 124.926 1.391 . . . . 45.140000000000001 108.175 176.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -69.38 -7.99 22.4 Favored 'Trans proline' 0 C--N 1.298 -2.088 0 O-C-N 122.764 0.876 . . . . 35.149999999999999 112.067 -174.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.403 ' N ' ' OD2' ' A' ' 86' ' ' ASP . 12.4 mttt -89.5 -36.45 15.38 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 124.018 0.824 . . . . 63.009999999999998 110.694 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -90.35 -1.84 57.94 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 116.419 2.007 . . . . 57.030000000000001 116.419 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -125.51 152.14 71.28 Favored Pre-proline 0 N--CA 1.493 1.707 0 C-N-CA 119.066 -1.053 . . . . 32.5 112.214 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -83.56 168.89 57.73 Favored 'Cis proline' 0 N--CA 1.495 1.583 0 O-C-N 121.993 0.47 . . . . 36.590000000000003 112.217 -0.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -139.35 166.81 23.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.028 -1.069 . . . . 47.890000000000001 108.443 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -79.88 -31.87 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 118.295 -1.362 . . . . 56.799999999999997 111.37 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.598 ' NZ ' ' OE1' ' A' ' 48' ' ' GLN . 7.3 tttp -106.43 78.55 1.29 Allowed 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.879 -1.529 . . . . 64.340000000000003 108.775 176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 47.6 mmm -71.1 165.13 24.2 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 113.359 -1.746 . . . . 33.869999999999997 109.341 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 96' ' ' GLU . 32.8 mp0 -77.84 146.88 35.45 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 118.549 -1.26 . . . . 41.68 108.312 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' NZ ' ' CB ' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -43.62 -39.39 3.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 114.971 1.471 . . . . 49.25 114.971 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.416 ' NH1' ' CE2' ' A' ' 99' ' ' PHE 0.271 15.1 ttm105 -50.4 -42.02 53.07 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 124.528 1.142 . . . . 51.130000000000003 111.283 179.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' CE2' ' NH1' ' A' ' 98' ' ' ARG . 49.6 m-85 -82.96 -6.37 59.45 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.342 -1.754 . . . . 23.260000000000002 114.433 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.11 133.01 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 N-CA-C 114.435 1.272 . . . . 16.969999999999999 114.435 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -122.96 146.28 47.75 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 113.559 -1.655 . . . . 20.390000000000001 106.709 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -93.17 121.32 34.4 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.263 -1.755 . . . . 27.039999999999999 106.263 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -86.32 122.59 30.52 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.991 -1.485 . . . . 22.780000000000001 106.991 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.61 130.73 73.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 114.919 -1.037 . . . . 30.079999999999998 109.471 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.66 112.64 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.466 -0.788 . . . . 75.060000000000002 111.238 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.9 mm -124.64 108.76 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-N 115.61 -0.723 . . . . 72.730000000000004 110.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 77.5 m-20 54.81 63.22 2.21 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.142 -1.023 . . . . 87.25 109.78 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 4.4 p30 52.72 17.26 0.8 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.384 1.052 . . . . 77.519999999999996 112.868 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 13' ' ' SER . 14.0 mmtp -124.5 171.09 10.26 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.287 -1.005 . . . . 62.189999999999998 108.287 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -122.18 151.48 40.96 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.441 -0.904 . . . . 31.52 112.844 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -130.87 143.77 50.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 106.331 -1.729 . . . . 49.159999999999997 106.331 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.3 103.56 9.93 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 122.35 1.071 . . . . 19.82 108.532 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -91.33 138.91 31.21 Favored 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 118.971 -1.092 . . . . 31.609999999999999 108.825 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -68.26 125.85 27.71 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.825 -1.15 . . . . 26.440000000000001 109.714 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.428 ' CB ' ' NZ ' ' A' ' 97' ' ' LYS . . . -70.0 -25.14 63.46 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 118.233 -1.387 . . . . 38.159999999999997 110.378 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -76.48 -46.29 27.43 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 116.015 -0.539 . . . . 50.359999999999999 111.326 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -114.89 97.06 46.59 Favored Pre-proline 0 N--CA 1.497 1.889 0 N-CA-C 108.811 -0.811 . . . . 28.449999999999999 108.811 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -59.22 137.45 78.98 Favored 'Trans proline' 0 C--N 1.297 -2.146 0 C-N-CA 120.564 0.843 . . . . 28.5 112.175 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 78.72 17.19 1.03 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 126.082 2.114 . . . . 32.799999999999997 110.934 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -112.32 131.71 55.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 104.976 -2.231 . . . . 27.300000000000001 104.976 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.59 152.99 42.85 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 125.949 2.03 . . . . 27.289999999999999 112.926 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.98 132.36 31.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 105.74 -1.948 . . . . 17.77 105.74 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.5 m -134.7 153.99 51.75 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 113.883 1.068 . . . . 22.050000000000001 113.883 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -126.41 165.96 18.1 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.795 1.309 . . . . 21.5 108.327 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.4 t -99.32 153.79 18.69 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.608 -1.178 . . . . 45.490000000000002 111.508 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -39.79 75.0 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.649 -1.614 . . . . 60.32 107.031 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.28 154.45 35.12 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.036 -1.438 . . . . 25.780000000000001 112.811 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -87.57 158.09 18.98 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-N 114.018 -1.446 . . . . 61.289999999999999 114.125 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.62 25.64 15.5 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.228 -1.351 . . . . 56.520000000000003 111.596 177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 27.9 mmt -99.27 147.55 33.44 Favored Pre-proline 0 C--N 1.292 -1.913 0 N-CA-C 105.72 -1.955 . . . . 42.57 105.72 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -72.97 148.93 46.12 Favored 'Trans proline' 0 C--N 1.299 -2.066 0 C-N-CA 120.13 0.554 . . . . 32.619999999999997 112.907 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.8 t -70.66 139.93 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.181 -1.044 . . . . 27.550000000000001 108.181 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -144.22 172.5 12.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.51 -1.276 . . . . 18.170000000000002 113.215 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 9.2 tp -93.69 124.28 37.59 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 125.25 1.594 . . . . 25.960000000000001 107.723 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.87 141.68 13.09 Favored Glycine 0 N--CA 1.483 1.781 0 C-N-CA 119.336 -1.411 . . . . 29.309999999999999 111.087 -175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -105.79 35.35 5.11 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 110.509 -1.036 . . . . 49.479999999999997 110.509 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 1.1 m -139.3 99.51 3.76 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 120.259 -0.576 . . . . 56.359999999999999 111.041 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.63 153.77 25.27 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 117.62 -1.632 . . . . 57.810000000000002 106.872 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.99 -120.9 5.27 Favored Glycine 0 N--CA 1.485 1.93 0 N-CA-C 105.123 -3.191 . . . . 77.420000000000002 105.123 -174.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 46.49 -154.22 0.86 Allowed Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.962 -1.113 . . . . 73.150000000000006 112.666 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.25 -14.11 15.93 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.011 -1.476 . . . . 74.280000000000001 108.838 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -86.94 143.93 27.17 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.561 -0.745 . . . . 45.310000000000002 111.382 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 25.2 mt -88.11 127.29 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 114.337 1.236 . . . . 30.25 114.337 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.4 p -124.21 3.62 8.54 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.517 -0.765 . . . . 25.859999999999999 111.416 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -112.59 142.03 45.65 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 120.152 -0.619 . . . . 43.259999999999998 111.519 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -132.99 168.37 18.59 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 114.513 -1.221 . . . . 21.98 111.746 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 148.72 46.96 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 102.803 -3.036 . . . . 31.789999999999999 102.803 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.5 ttp -121.25 138.51 54.19 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.094 0.95 . . . . 36.259999999999998 111.487 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -115.56 129.35 56.49 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.831 -1.174 . . . . 28.129999999999999 107.831 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.31 144.53 38.01 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.658 -1.217 . . . . 36.030000000000001 108.813 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . 0.572 ' CG2' ' N ' ' A' ' 152' ' ' SER . 3.3 m -149.19 -145.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 115.044 -0.98 . . . . 55.740000000000002 109.475 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.572 ' N ' ' CG2' ' A' ' 151' ' ' VAL . 33.2 t 177.86 156.26 0.37 Allowed 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 112.862 -1.972 . . . . 92.239999999999995 107.781 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.296 -1.754 0 CA-C-O 116.883 -1.532 . . . . 111.66 109.911 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 111.723 0.268 . . . . 86.19 111.723 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 1' ' ' ALA . 7.1 Cg_endo -76.47 36.39 0.51 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.147 1.898 . . . . 77.82 110.122 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -121.2 134.3 65.0 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.324 -0.95 . . . . 54.91 110.596 179.263 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.68 119.32 33.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 124.484 1.115 . . . . 44.0 108.937 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -111.88 177.99 4.47 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 114.568 -1.196 . . . . 43.62 108.737 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.11 118.69 1.07 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.574 -1.194 . . . . 38.77 108.379 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -81.6 145.4 30.64 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.331 -1.348 . . . . 51.99 110.249 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.5 p -170.67 167.61 7.76 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.029 -1.468 . . . . 26.08 111.285 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -124.64 159.74 30.09 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 104.434 -2.432 . . . . 21.27 104.434 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.72 145.28 47.66 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 125.066 1.479 . . . . 29.57 107.111 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -136.19 132.82 36.43 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 104.608 -2.367 . . . . 43.27 104.608 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 7.7 p30 -72.08 172.93 9.2 Favored 'General case' 0 N--CA 1.509 2.49 0 C-N-CA 117.644 -1.622 . . . . 28.2 111.054 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 109' ' ' LYS . 50.9 p -68.57 -13.71 62.52 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.144 -1.023 . . . . 30.53 112.287 -173.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -92.07 2.4 56.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 125.445 1.715 . . . . 48.99 107.664 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 75.83 26.69 1.02 Allowed 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 113.457 -1.701 . . . . 34.08 113.203 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -90.43 147.33 23.5 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.838 -1.545 . . . . 24.45 107.96 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -101.82 155.19 18.29 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 124.958 1.411 . . . . 27.24 109.573 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -97.64 141.57 30.52 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.994 0.902 . . . . 29.69 110.922 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HA ' HG23 ' A' ' 40' ' ' VAL . 1.4 m -142.54 145.54 23.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 122.789 1.281 . . . . 29.01 109.289 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -66.28 117.05 8.0 Favored 'General case' 0 C--N 1.283 -2.325 0 CA-C-N 114.041 -1.436 . . . . 70.34 111.539 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.67 ' OG ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -82.97 -87.74 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 115.314 -0.857 . . . . 59.35 109.116 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.67 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -88.05 -159.87 35.1 Favored Glycine 0 C--N 1.298 -1.548 0 N-CA-C 106.946 -2.462 . . . . 53.28 106.946 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -77.0 -13.49 17.35 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.604 2.203 . . . . 52.57 109.886 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' C ' HD12 ' A' ' 82' ' ' LEU . 56.5 m-85 -142.07 31.07 1.59 Allowed 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.695 -2.048 . . . . 61.9 111.844 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -139.32 144.49 38.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 124.013 0.821 . . . . 62.76 112.897 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 mt -112.54 144.31 42.22 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 125.66 1.85 . . . . 27.05 107.976 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 150.42 49.57 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.898 -1.046 . . . . 47.58 108.189 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.67 125.34 54.19 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.127 -1.064 . . . . 21.84 108.127 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -148.52 155.02 40.6 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.348 -1.341 . . . . 39.7 111.012 178.191 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -69.1 103.73 1.96 Allowed 'General case' 0 C--O 1.207 -1.158 0 O-C-N 125.744 1.902 . . . . 27.5 110.056 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -115.63 143.45 45.33 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.554 -1.657 . . . . 42.31 107.862 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 38.0 tt0 -158.73 146.04 17.66 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 117.707 -1.597 . . . . 68.92 111.826 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' A' ' 32' ' ' GLN . . . 90.37 -139.28 14.88 Favored Glycine 0 C--N 1.295 -1.725 0 C-N-CA 118.142 -1.98 . . . . 60.29 112.756 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' CD ' ' H ' ' A' ' 34' ' ' GLN . 26.4 mp0 -76.19 -29.16 57.56 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 113.557 -1.322 . . . . 77.17 107.996 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 37' ' ' GLU . 5.3 t0 -63.94 -6.41 6.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 113.293 -1.776 . . . . 69.3 109.149 -177.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -70.14 7.45 0.98 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 114.663 -1.153 . . . . 60.94 109.328 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.604 ' C ' ' H ' ' A' ' 39' ' ' GLN . 1.4 pp20? -77.29 -33.57 55.7 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.919 -1.037 . . . . 90.68 110.625 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.67 19.05 0.14 Allowed 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.58 -1.248 . . . . 62.52 110.125 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.604 ' H ' ' C ' ' A' ' 37' ' ' GLU . 22.7 tt0 -88.18 136.95 32.74 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.649 -1.614 . . . . 41.02 111.739 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 19' ' ' VAL . 3.1 t -79.11 136.71 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-O 123.311 1.529 . . . . 32.9 114.106 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.04 124.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.045 0 CA-C-N 112.633 -2.076 . . . . 18.85 108.569 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -99.6 157.28 16.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 123.237 1.494 . . . . 22.24 110.985 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -113.11 113.6 25.63 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 101.422 -3.548 . . . . 28.97 101.422 170.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.5 ttm -95.41 124.89 39.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.926 -1.138 . . . . 28.34 107.926 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.6 m -111.97 133.28 54.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 125.211 1.569 . . . . 26.51 110.714 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.13 106.95 18.23 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.582 -1.266 . . . . 25.08 107.582 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.64 HG11 ' HG3' ' A' ' 95' ' ' MET . 27.7 m -104.93 -174.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 114.729 -1.123 . . . . 35.81 111.676 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -81.12 141.45 34.26 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.601 -1.636 . . . . 63.56 111.454 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.23 -165.65 39.06 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.686 -2.165 . . . . 48.15 107.686 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -91.23 94.37 9.52 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 117.865 -1.534 . . . . 87.01 110.794 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.91 158.85 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.962 -1.472 . . . . 76.9 112.091 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB3' ' H ' ' A' ' 55' ' ' LYS . 42.7 t -159.28 179.89 8.57 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.45 -1.25 . . . . 75.52 108.78 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -77.14 -32.35 56.32 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.117 -1.438 . . . . 93.3 107.117 179.191 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 0.1 OUTLIER -106.6 -13.18 15.37 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.891 -1.504 . . . . 71.82 112.395 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' H ' ' HB3' ' A' ' 52' ' ' SER . 77.7 mttt -123.8 125.54 44.87 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 122.439 1.114 . . . . 51.61 112.331 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.6 mm -127.34 115.57 21.48 Favored Pre-proline 0 C--N 1.292 -1.917 0 CA-C-N 114.612 -1.176 . . . . 42.32 108.333 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -67.69 131.06 23.36 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 CA-C-O 121.52 0.55 . . . . 28.65 111.002 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.78 163.09 31.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 C-N-CA 118.4 -1.32 . . . . 20.33 108.555 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.94 147.65 39.74 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 126.293 2.246 . . . . 20.39 106.0 170.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.43 110.07 14.65 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 122.247 1.023 . . . . 22.44 109.551 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.77 162.23 13.1 Favored Glycine 0 C--N 1.292 -1.914 0 N-CA-C 108.489 -1.845 . . . . 21.21 108.489 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.54 143.52 33.18 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 106.343 -1.725 . . . . 23.81 106.343 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 153' ' ' SER . 0.0 OUTLIER -34.19 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 116.718 2.118 . . . . 49.28 116.718 -175.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -113.83 33.03 5.44 Favored 'General case' 0 N--CA 1.509 2.505 0 C-N-CA 118.747 -1.181 . . . . 70.74 112.64 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -124.03 150.48 44.87 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 115.581 -0.736 . . . . 37.72 109.777 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 85' ' ' VAL . 24.2 p-10 -87.32 58.14 4.83 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.213 -1.395 . . . . 25.31 109.76 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 77.5 mt -123.29 130.56 52.91 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 114.138 -1.392 . . . . 19.83 109.193 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -127.21 145.97 50.58 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 124.039 0.837 . . . . 29.5 112.249 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.79 128.79 35.89 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.105 -1.072 . . . . 22.95 108.105 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 p -138.6 155.93 47.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.067 -1.453 . . . . 25.34 109.814 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.75 120.56 39.71 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.919 -1.491 . . . . 24.91 108.627 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.02 164.78 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 115.034 -0.985 . . . . 25.8 110.599 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD22 ' C ' ' A' ' 76' ' ' ASP . 16.1 mt -83.97 130.65 34.88 Favored 'General case' 0 C--N 1.286 -2.173 0 C-N-CA 116.829 -1.949 . . . . 41.79 109.581 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 6.2 mptt -135.48 96.87 3.55 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 106.046 -1.835 . . . . 58.13 106.046 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER 85.57 35.0 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 114.596 -1.183 . . . . 83.97 108.582 -178.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 73' ' ' LEU . 6.5 m-20 71.84 -0.52 3.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 115.872 -0.604 . . . . 77.7 109.881 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' CD ' ' O ' ' A' ' 78' ' ' PRO . 1.6 tmtt? -109.13 131.83 21.58 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 118.939 -1.105 . . . . 59.75 110.573 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.548 ' O ' ' CD ' ' A' ' 77' ' ' LYS . 37.0 Cg_exo -55.99 124.16 15.59 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.829 1.686 . . . . 37.2 109.09 173.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.259 1.6 m -134.55 144.05 47.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.443 -0.798 . . . . 31.69 111.604 -173.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -90.89 129.26 36.95 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.373 -0.973 . . . . 23.06 108.373 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -136.08 155.08 50.73 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 117.888 -1.525 . . . . 46.64 112.875 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 24' ' ' TYR . 15.8 mt -89.92 123.39 33.81 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.039 -1.837 . . . . 27.65 106.039 170.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -116.1 126.3 53.54 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 114.415 -1.266 . . . . 36.54 110.932 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.8 p -79.7 144.63 33.52 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.855 -1.165 . . . . 33.97 107.855 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 15.5 m -133.8 168.25 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 119.156 -1.018 . . . . 20.24 109.685 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.46 117.72 24.84 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 124.926 1.391 . . . . 45.14 108.175 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -69.38 -7.99 22.4 Favored 'Trans proline' 0 C--N 1.298 -2.088 0 O-C-N 122.764 0.876 . . . . 35.15 112.067 -174.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -89.5 -36.45 15.38 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 124.018 0.824 . . . . 63.01 110.694 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -90.35 -1.84 57.94 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 116.419 2.007 . . . . 57.03 116.419 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -125.51 152.14 71.28 Favored Pre-proline 0 N--CA 1.493 1.707 0 C-N-CA 119.066 -1.053 . . . . 32.5 112.214 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -83.56 168.89 57.73 Favored 'Cis proline' 0 N--CA 1.495 1.583 0 O-C-N 121.993 0.47 . . . . 36.59 112.217 -0.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -139.35 166.81 23.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.028 -1.069 . . . . 47.89 108.443 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -79.88 -31.87 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 118.295 -1.362 . . . . 56.8 111.37 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.43 78.55 1.29 Allowed 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.879 -1.529 . . . . 64.34 108.775 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.64 ' HG3' HG11 ' A' ' 47' ' ' VAL . 47.6 mmm -71.1 165.13 24.2 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 113.359 -1.746 . . . . 33.87 109.341 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 96' ' ' GLU . 32.8 mp0 -77.84 146.88 35.45 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 118.549 -1.26 . . . . 41.68 108.312 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.662 ' HZ1' ' C ' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -43.62 -39.39 3.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 114.971 1.471 . . . . 49.25 114.971 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.63 HH11 ' CB ' ' A' ' 98' ' ' ARG 0.271 15.1 ttm105 -50.4 -42.02 53.07 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 124.528 1.142 . . . . 51.13 111.283 179.461 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.409 ' CE2' ' NH1' ' A' ' 98' ' ' ARG . 49.6 m-85 -82.96 -6.37 59.45 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.342 -1.754 . . . . 23.26 114.433 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.11 133.01 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 N-CA-C 114.435 1.272 . . . . 16.97 114.435 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -122.96 146.28 47.75 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 113.559 -1.655 . . . . 20.39 106.709 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -93.17 121.32 34.4 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.263 -1.755 . . . . 27.04 106.263 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.511 ' CG ' HD22 ' A' ' 110' ' ' LEU . 24.5 ttpp -86.32 122.59 30.52 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.991 -1.485 . . . . 22.78 106.991 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.61 130.73 73.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 114.919 -1.037 . . . . 30.08 109.471 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.66 112.64 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.466 -0.788 . . . . 75.06 111.238 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.9 mm -124.64 108.76 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-N 115.61 -0.723 . . . . 72.73 110.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.497 ' O ' ' CG ' ' A' ' 108' ' ' ASN . 22.9 m120 54.81 63.22 2.21 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.142 -1.023 . . . . 87.25 109.78 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.497 ' CG ' ' O ' ' A' ' 107' ' ' ASN . 5.6 p-10 52.72 17.26 0.8 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.384 1.052 . . . . 77.52 112.868 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 13' ' ' SER . 14.0 mmtp -124.5 171.09 10.26 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.287 -1.005 . . . . 62.19 108.287 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.511 HD22 ' CG ' ' A' ' 103' ' ' LYS . 85.1 mt -122.18 151.48 40.96 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.441 -0.904 . . . . 31.52 112.844 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -130.87 143.77 50.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 106.331 -1.729 . . . . 49.16 106.331 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.3 103.56 9.93 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 122.35 1.071 . . . . 19.82 108.532 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -91.33 138.91 31.21 Favored 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 118.971 -1.092 . . . . 31.61 108.825 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -68.26 125.85 27.71 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.825 -1.15 . . . . 26.44 109.714 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.662 ' C ' ' HZ1' ' A' ' 97' ' ' LYS . . . -70.0 -25.14 63.46 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 118.233 -1.387 . . . . 38.16 110.378 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.522 ' N ' ' HZ1' ' A' ' 97' ' ' LYS . 1.9 tp-100 -76.48 -46.29 27.43 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 116.015 -0.539 . . . . 50.36 111.326 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -114.89 97.06 46.59 Favored Pre-proline 0 N--CA 1.497 1.889 0 N-CA-C 108.811 -0.811 . . . . 28.45 108.811 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -59.22 137.45 78.98 Favored 'Trans proline' 0 C--N 1.297 -2.146 0 C-N-CA 120.564 0.843 . . . . 28.5 112.175 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 78.72 17.19 1.03 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 126.082 2.114 . . . . 32.8 110.934 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -112.32 131.71 55.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 104.976 -2.231 . . . . 27.3 104.976 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.59 152.99 42.85 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 125.949 2.03 . . . . 27.29 112.926 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.98 132.36 31.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 105.74 -1.948 . . . . 17.77 105.74 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.5 m -134.7 153.99 51.75 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 113.883 1.068 . . . . 22.05 113.883 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -126.41 165.96 18.1 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.795 1.309 . . . . 21.5 108.327 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.4 t -99.32 153.79 18.69 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.608 -1.178 . . . . 45.49 111.508 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -56.88 -39.79 75.0 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.649 -1.614 . . . . 60.32 107.031 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.28 154.45 35.12 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.036 -1.438 . . . . 25.78 112.811 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -87.57 158.09 18.98 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-N 114.018 -1.446 . . . . 61.29 114.125 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.62 25.64 15.5 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.228 -1.351 . . . . 56.52 111.596 177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 27.9 mmt -99.27 147.55 33.44 Favored Pre-proline 0 C--N 1.292 -1.913 0 N-CA-C 105.72 -1.955 . . . . 42.57 105.72 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -72.97 148.93 46.12 Favored 'Trans proline' 0 C--N 1.299 -2.066 0 C-N-CA 120.13 0.554 . . . . 32.62 112.907 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.8 t -70.66 139.93 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.181 -1.044 . . . . 27.55 108.181 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -144.22 172.5 12.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.51 -1.276 . . . . 18.17 113.215 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 134' ' ' LEU . 9.2 tp -93.69 124.28 37.59 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 125.25 1.594 . . . . 25.96 107.723 178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.87 141.68 13.09 Favored Glycine 0 N--CA 1.483 1.781 0 C-N-CA 119.336 -1.411 . . . . 29.31 111.087 -175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -105.79 35.35 5.11 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 110.509 -1.036 . . . . 49.48 110.509 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 137' ' ' THR . 1.1 m -139.3 99.51 3.76 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 120.259 -0.576 . . . . 56.36 111.041 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.63 153.77 25.27 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 117.62 -1.632 . . . . 57.81 106.872 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.99 -120.9 5.27 Favored Glycine 0 N--CA 1.485 1.93 0 N-CA-C 105.123 -3.191 . . . . 77.42 105.123 -174.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 46.49 -154.22 0.86 Allowed Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.962 -1.113 . . . . 73.15 112.666 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.25 -14.11 15.93 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.011 -1.476 . . . . 74.28 108.838 -176.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -86.94 143.93 27.17 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.561 -0.745 . . . . 45.31 111.382 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 25.2 mt -88.11 127.29 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 114.337 1.236 . . . . 30.25 114.337 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.4 p -124.21 3.62 8.54 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.517 -0.765 . . . . 25.86 111.416 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -112.59 142.03 45.65 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 120.152 -0.619 . . . . 43.26 111.519 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -132.99 168.37 18.59 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 114.513 -1.221 . . . . 21.98 111.746 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 148.72 46.96 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 102.803 -3.036 . . . . 31.79 102.803 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.5 ttp -121.25 138.51 54.19 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.094 0.95 . . . . 36.26 111.487 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.56 129.35 56.49 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.831 -1.174 . . . . 28.13 107.831 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.31 144.53 38.01 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.658 -1.217 . . . . 36.03 108.813 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.794 HG23 ' N ' ' A' ' 152' ' ' SER . 3.3 m -149.19 -145.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 115.044 -0.98 . . . . 55.74 109.475 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.794 ' N ' HG23 ' A' ' 151' ' ' VAL . 33.2 t 177.86 156.26 0.37 Allowed 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 112.862 -1.972 . . . . 92.24 107.781 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.296 -1.754 0 CA-C-O 116.883 -1.532 . . . . 111.66 109.911 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.573 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 111.723 0.268 . . . . 86.19 111.723 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 1' ' ' ALA . 7.1 Cg_endo -76.47 36.39 0.51 Allowed 'Trans proline' 0 C--N 1.313 -1.297 0 C-N-CA 122.147 1.898 . . . . 77.82 110.122 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -121.2 134.3 65.0 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 C-N-CA 119.324 -0.95 . . . . 54.91 110.596 179.263 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.68 119.32 33.12 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 124.484 1.115 . . . . 44.0 108.937 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 m -111.88 177.99 4.47 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 114.568 -1.196 . . . . 43.62 108.737 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.11 118.69 1.07 Allowed 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 114.574 -1.194 . . . . 38.77 108.379 -174.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.413 HD22 ' HA ' ' A' ' 7' ' ' ASN . 10.7 m120 -81.6 145.4 30.64 Favored 'General case' 0 C--N 1.294 -1.824 0 C-N-CA 118.331 -1.348 . . . . 51.99 110.249 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.5 p -170.67 167.61 7.76 Favored 'General case' 0 C--N 1.288 -2.073 0 C-N-CA 118.029 -1.468 . . . . 26.08 111.285 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -124.64 159.74 30.09 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 104.434 -2.432 . . . . 21.27 104.434 174.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -120.72 145.28 47.66 Favored 'General case' 0 C--N 1.287 -2.137 0 O-C-N 125.066 1.479 . . . . 29.57 107.111 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HE ' HE21 ' A' ' 15' ' ' GLN . 2.4 ttp180 -136.19 132.82 36.43 Favored 'General case' 0 C--N 1.288 -2.075 0 N-CA-C 104.608 -2.367 . . . . 43.27 104.608 176.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 12' ' ' ASP . 7.7 p30 -72.08 172.93 9.2 Favored 'General case' 0 N--CA 1.509 2.49 0 C-N-CA 117.644 -1.622 . . . . 28.2 111.054 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.406 ' CB ' ' NZ ' ' A' ' 109' ' ' LYS . 50.9 p -68.57 -13.71 62.52 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 119.144 -1.023 . . . . 30.53 112.287 -173.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -92.07 2.4 56.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 125.445 1.715 . . . . 48.99 107.664 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.442 HE21 ' HE ' ' A' ' 11' ' ' ARG . 7.5 tp60 75.83 26.69 1.02 Allowed 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 113.457 -1.701 . . . . 34.08 113.203 173.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -90.43 147.33 23.5 Favored 'General case' 0 C--N 1.301 -1.53 0 C-N-CA 117.838 -1.545 . . . . 24.45 107.96 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 m -101.82 155.19 18.29 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 124.958 1.411 . . . . 27.24 109.573 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mt -97.64 141.57 30.52 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.994 0.902 . . . . 29.69 110.922 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' HA ' HG23 ' A' ' 40' ' ' VAL . 1.4 m -142.54 145.54 23.28 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 CA-C-O 122.789 1.281 . . . . 29.01 109.289 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -66.28 117.05 8.0 Favored 'General case' 0 C--N 1.283 -2.325 0 CA-C-N 114.041 -1.436 . . . . 70.34 111.539 177.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.67 ' OG ' ' N ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER -82.97 -87.74 0.1 Allowed 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 115.314 -0.857 . . . . 59.35 109.116 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.67 ' N ' ' OG ' ' A' ' 21' ' ' SER . . . -88.05 -159.87 35.1 Favored Glycine 0 C--N 1.298 -1.548 0 N-CA-C 106.946 -2.462 . . . . 53.28 106.946 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -77.0 -13.49 17.35 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.604 2.203 . . . . 52.57 109.886 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.403 ' C ' HD12 ' A' ' 82' ' ' LEU . 56.5 m-85 -142.07 31.07 1.59 Allowed 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 112.695 -2.048 . . . . 61.9 111.844 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' HB2' ' H ' ' A' ' 22' ' ' GLY . 0.6 OUTLIER -139.32 144.49 38.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 124.013 0.821 . . . . 62.76 112.897 179.504 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.7 mt -112.54 144.31 42.22 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 125.66 1.85 . . . . 27.05 107.976 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.28 150.42 49.57 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 114.898 -1.046 . . . . 47.58 108.189 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.67 125.34 54.19 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.127 -1.064 . . . . 21.84 108.127 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -148.52 155.02 40.6 Favored 'General case' 0 C--N 1.3 -1.575 0 C-N-CA 118.348 -1.341 . . . . 39.7 111.012 178.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -69.1 103.73 1.96 Allowed 'General case' 0 C--O 1.207 -1.158 0 O-C-N 125.744 1.902 . . . . 27.5 110.056 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 tp -115.63 143.45 45.33 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 113.554 -1.657 . . . . 42.31 107.862 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' HG2' ' N ' ' A' ' 33' ' ' GLY . 38.0 tt0 -158.73 146.04 17.66 Favored 'General case' 0 C--N 1.296 -1.725 0 C-N-CA 117.707 -1.597 . . . . 68.92 111.826 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' HG2' ' A' ' 32' ' ' GLN . . . 90.37 -139.28 14.88 Favored Glycine 0 C--N 1.295 -1.725 0 C-N-CA 118.142 -1.98 . . . . 60.29 112.756 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' CD ' ' H ' ' A' ' 34' ' ' GLN . 26.4 mp0 -76.19 -29.16 57.56 Favored 'General case' 0 C--N 1.289 -2.043 0 CA-C-N 113.557 -1.322 . . . . 77.17 107.996 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 37' ' ' GLU . 5.3 t0 -63.94 -6.41 6.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 113.293 -1.776 . . . . 69.3 109.149 -177.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' GLN . 0.9 OUTLIER -70.14 7.45 0.98 Allowed 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 114.663 -1.153 . . . . 60.94 109.328 178.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.604 ' C ' ' H ' ' A' ' 39' ' ' GLN . 1.4 pp20? -77.29 -33.57 55.7 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.919 -1.037 . . . . 90.68 110.625 -177.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.67 19.05 0.14 Allowed 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 118.58 -1.248 . . . . 62.52 110.125 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.604 ' H ' ' C ' ' A' ' 37' ' ' GLU . 22.7 tt0 -88.18 136.95 32.74 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.649 -1.614 . . . . 41.02 111.739 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 19' ' ' VAL . 3.1 t -79.11 136.71 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 CA-C-O 123.311 1.529 . . . . 32.9 114.106 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.04 124.83 63.06 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.045 0 CA-C-N 112.633 -2.076 . . . . 18.85 108.569 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -99.6 157.28 16.57 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 123.237 1.494 . . . . 22.24 110.985 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 40.4 t -113.11 113.6 25.63 Favored 'General case' 0 C--N 1.279 -2.49 0 N-CA-C 101.422 -3.548 . . . . 28.97 101.422 170.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 48.5 ttm -95.41 124.89 39.67 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.926 -1.138 . . . . 28.34 107.926 -178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.6 m -111.97 133.28 54.25 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 125.211 1.569 . . . . 26.51 110.714 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.13 106.95 18.23 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.582 -1.266 . . . . 25.08 107.582 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.64 HG11 ' HG3' ' A' ' 95' ' ' MET . 27.7 m -104.93 -174.76 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 114.729 -1.123 . . . . 35.81 111.676 -177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -81.12 141.45 34.26 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 113.601 -1.636 . . . . 63.56 111.454 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 169.23 -165.65 39.06 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 107.686 -2.165 . . . . 48.15 107.686 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -91.23 94.37 9.52 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 117.865 -1.534 . . . . 87.01 110.794 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.91 158.85 31.75 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-N 113.962 -1.472 . . . . 76.9 112.091 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.476 ' HB3' ' H ' ' A' ' 55' ' ' LYS . 42.7 t -159.28 179.89 8.57 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 114.45 -1.25 . . . . 75.52 108.78 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -77.14 -32.35 56.32 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 107.117 -1.438 . . . . 93.3 107.117 179.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.749 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -106.6 -13.18 15.37 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 113.891 -1.504 . . . . 71.82 112.395 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' H ' ' HB3' ' A' ' 52' ' ' SER . 77.7 mttt -123.8 125.54 44.87 Favored 'General case' 0 N--CA 1.503 2.187 0 CA-C-O 122.439 1.114 . . . . 51.61 112.331 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 37.6 mm -127.34 115.57 21.48 Favored Pre-proline 0 C--N 1.292 -1.917 0 CA-C-N 114.612 -1.176 . . . . 42.32 108.333 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -67.69 131.06 23.36 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 CA-C-O 121.52 0.55 . . . . 28.65 111.002 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.7 m -137.78 163.09 31.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 C-N-CA 118.4 -1.32 . . . . 20.33 108.555 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.94 147.65 39.74 Favored 'General case' 0 C--N 1.309 -1.185 0 O-C-N 126.293 2.246 . . . . 20.39 106.0 170.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -123.43 110.07 14.65 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-O 122.247 1.023 . . . . 22.44 109.551 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -117.77 162.23 13.1 Favored Glycine 0 C--N 1.292 -1.914 0 N-CA-C 108.489 -1.845 . . . . 21.21 108.489 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.54 143.52 33.18 Favored 'General case' 0 C--N 1.289 -2.059 0 N-CA-C 106.343 -1.725 . . . . 23.81 106.343 176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 153' ' ' SER . 0.0 OUTLIER -34.19 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 116.718 2.118 . . . . 49.28 116.718 -175.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -113.83 33.03 5.44 Favored 'General case' 0 N--CA 1.509 2.505 0 C-N-CA 118.747 -1.181 . . . . 70.74 112.64 -176.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -124.03 150.48 44.87 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 115.581 -0.736 . . . . 37.72 109.777 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 85' ' ' VAL . 24.2 p-10 -87.32 58.14 4.83 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.213 -1.395 . . . . 25.31 109.76 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 77.5 mt -123.29 130.56 52.91 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 114.138 -1.392 . . . . 19.83 109.193 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -127.21 145.97 50.58 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 124.039 0.837 . . . . 29.5 112.249 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.79 128.79 35.89 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.105 -1.072 . . . . 22.95 108.105 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 p -138.6 155.93 47.9 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 118.067 -1.453 . . . . 25.34 109.814 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 56.8 m -115.75 120.56 39.71 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 113.919 -1.491 . . . . 24.91 108.627 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 m -138.02 164.78 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 115.034 -0.985 . . . . 25.8 110.599 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.462 HD22 ' C ' ' A' ' 76' ' ' ASP . 16.1 mt -83.97 130.65 34.88 Favored 'General case' 0 C--N 1.286 -2.173 0 C-N-CA 116.829 -1.949 . . . . 41.79 109.581 173.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 75' ' ' ASP . 6.2 mptt -135.48 96.87 3.55 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 106.046 -1.835 . . . . 58.13 106.046 175.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER 85.57 35.0 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 CA-C-N 114.596 -1.183 . . . . 83.97 108.582 -178.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 73' ' ' LEU . 6.5 m-20 71.84 -0.52 3.16 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 115.872 -0.604 . . . . 77.7 109.881 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' CD ' ' O ' ' A' ' 78' ' ' PRO . 1.6 tmtt? -109.13 131.83 21.58 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 118.939 -1.105 . . . . 59.75 110.573 -177.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.548 ' O ' ' CD ' ' A' ' 77' ' ' LYS . 37.0 Cg_exo -55.99 124.16 15.59 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.829 1.686 . . . . 37.2 109.09 173.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . 0.259 1.6 m -134.55 144.05 47.76 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 115.443 -0.798 . . . . 31.69 111.604 -173.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -90.89 129.26 36.95 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.373 -0.973 . . . . 23.06 108.373 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -136.08 155.08 50.73 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 117.888 -1.525 . . . . 46.64 112.875 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 24' ' ' TYR . 15.8 mt -89.92 123.39 33.81 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 106.039 -1.837 . . . . 27.65 106.039 170.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -116.1 126.3 53.54 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 114.415 -1.266 . . . . 36.54 110.932 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.8 p -79.7 144.63 33.52 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 107.855 -1.165 . . . . 33.97 107.855 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 15.5 m -133.8 168.25 24.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 119.156 -1.018 . . . . 20.24 109.685 -178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.46 117.72 24.84 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 124.926 1.391 . . . . 45.14 108.175 176.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -69.38 -7.99 22.4 Favored 'Trans proline' 0 C--N 1.298 -2.088 0 O-C-N 122.764 0.876 . . . . 35.15 112.067 -174.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -89.5 -36.45 15.38 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 124.018 0.824 . . . . 63.01 110.694 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -90.35 -1.84 57.94 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 116.419 2.007 . . . . 57.03 116.419 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -125.51 152.14 71.28 Favored Pre-proline 0 N--CA 1.493 1.707 0 C-N-CA 119.066 -1.053 . . . . 32.5 112.214 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -83.56 168.89 57.73 Favored 'Cis proline' 0 N--CA 1.495 1.583 0 O-C-N 121.993 0.47 . . . . 36.59 112.217 -0.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -139.35 166.81 23.58 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.028 -1.069 . . . . 47.89 108.443 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -79.88 -31.87 40.33 Favored 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 118.295 -1.362 . . . . 56.8 111.37 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -106.43 78.55 1.29 Allowed 'General case' 0 C--N 1.295 -1.791 0 C-N-CA 117.879 -1.529 . . . . 64.34 108.775 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.64 ' HG3' HG11 ' A' ' 47' ' ' VAL . 47.6 mmm -71.1 165.13 24.2 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 113.359 -1.746 . . . . 33.87 109.341 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' A' ' 96' ' ' GLU . 32.8 mp0 -77.84 146.88 35.45 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 118.549 -1.26 . . . . 41.68 108.312 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.662 ' HZ1' ' C ' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -43.62 -39.39 3.52 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 114.971 1.471 . . . . 49.25 114.971 -178.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.63 HH11 ' CB ' ' A' ' 98' ' ' ARG 0.271 15.1 ttm105 -50.4 -42.02 53.07 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 124.528 1.142 . . . . 51.13 111.283 179.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.409 ' CE2' ' NH1' ' A' ' 98' ' ' ARG . 49.6 m-85 -82.96 -6.37 59.45 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 113.342 -1.754 . . . . 23.26 114.433 -177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.11 133.01 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 N-CA-C 114.435 1.272 . . . . 16.97 114.435 -176.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -122.96 146.28 47.75 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 113.559 -1.655 . . . . 20.39 106.709 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -93.17 121.32 34.4 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.263 -1.755 . . . . 27.04 106.263 173.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.511 ' CG ' HD22 ' A' ' 110' ' ' LEU . 24.5 ttpp -86.32 122.59 30.52 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.991 -1.485 . . . . 22.78 106.991 177.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.61 130.73 73.71 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 CA-C-N 114.919 -1.037 . . . . 30.08 109.471 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.66 112.64 24.38 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.466 -0.788 . . . . 75.06 111.238 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 41.9 mm -124.64 108.76 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-N 115.61 -0.723 . . . . 72.73 110.056 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.551 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 77.5 m-20 54.81 63.22 2.21 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 119.142 -1.023 . . . . 87.25 109.78 177.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 107' ' ' ASN . 4.4 p30 52.72 17.26 0.8 Allowed 'General case' 0 N--CA 1.5 2.054 0 O-C-N 124.384 1.052 . . . . 77.52 112.868 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 13' ' ' SER . 14.0 mmtp -124.5 171.09 10.26 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 108.287 -1.005 . . . . 62.19 108.287 178.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.511 HD22 ' CG ' ' A' ' 103' ' ' LYS . 85.1 mt -122.18 151.48 40.96 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.441 -0.904 . . . . 31.52 112.844 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -130.87 143.77 50.97 Favored 'General case' 0 N--CA 1.497 1.904 0 N-CA-C 106.331 -1.729 . . . . 49.16 106.331 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -118.3 103.56 9.93 Favored 'General case' 0 C--N 1.285 -2.209 0 CA-C-O 122.35 1.071 . . . . 19.82 108.532 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -91.33 138.91 31.21 Favored 'General case' 0 C--N 1.284 -2.246 0 C-N-CA 118.971 -1.092 . . . . 31.61 108.825 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.1 t -68.26 125.85 27.71 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 118.825 -1.15 . . . . 26.44 109.714 176.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.662 ' C ' ' HZ1' ' A' ' 97' ' ' LYS . . . -70.0 -25.14 63.46 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 118.233 -1.387 . . . . 38.16 110.378 176.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.522 ' N ' ' HZ1' ' A' ' 97' ' ' LYS . 2.0 tp60 -76.48 -46.29 27.43 Favored 'General case' 0 N--CA 1.496 1.836 0 CA-C-N 116.015 -0.539 . . . . 50.36 111.326 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -114.89 97.06 46.59 Favored Pre-proline 0 N--CA 1.497 1.889 0 N-CA-C 108.811 -0.811 . . . . 28.45 108.811 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -59.22 137.45 78.98 Favored 'Trans proline' 0 C--N 1.297 -2.146 0 C-N-CA 120.564 0.843 . . . . 28.5 112.175 -178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 78.72 17.19 1.03 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 126.082 2.114 . . . . 32.8 110.934 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -112.32 131.71 55.37 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 104.976 -2.231 . . . . 27.3 104.976 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -124.59 152.99 42.85 Favored 'General case' 0 C--O 1.207 -1.155 0 O-C-N 125.949 2.03 . . . . 27.29 112.926 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.98 132.36 31.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 N-CA-C 105.74 -1.948 . . . . 17.77 105.74 172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 74.5 m -134.7 153.99 51.75 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 113.883 1.068 . . . . 22.05 113.883 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.9 p -126.41 165.96 18.1 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.795 1.309 . . . . 21.5 108.327 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.4 t -99.32 153.79 18.69 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.608 -1.178 . . . . 45.49 111.508 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -39.79 75.0 Favored 'General case' 0 N--CA 1.487 1.419 0 CA-C-N 113.649 -1.614 . . . . 60.32 107.031 177.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.28 154.45 35.12 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.036 -1.438 . . . . 25.78 112.811 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -87.57 158.09 18.98 Favored 'General case' 0 N--CA 1.502 2.166 0 CA-C-N 114.018 -1.446 . . . . 61.29 114.125 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.62 25.64 15.5 Favored 'General case' 0 C--N 1.304 -1.389 0 CA-C-N 114.228 -1.351 . . . . 56.52 111.596 177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 27.9 mmt -99.27 147.55 33.44 Favored Pre-proline 0 C--N 1.292 -1.913 0 N-CA-C 105.72 -1.955 . . . . 42.57 105.72 175.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -72.97 148.93 46.12 Favored 'Trans proline' 0 C--N 1.299 -2.066 0 C-N-CA 120.13 0.554 . . . . 32.62 112.907 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 87.8 t -70.66 139.93 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 N-CA-C 108.181 -1.044 . . . . 27.55 108.181 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -144.22 172.5 12.83 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 118.51 -1.276 . . . . 18.17 113.215 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 134' ' ' LEU . 9.2 tp -93.69 124.28 37.59 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 125.25 1.594 . . . . 25.96 107.723 178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -125.87 141.68 13.09 Favored Glycine 0 N--CA 1.483 1.781 0 C-N-CA 119.336 -1.411 . . . . 29.31 111.087 -175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -105.79 35.35 5.11 Favored Glycine 0 N--CA 1.486 2.032 0 N-CA-C 110.509 -1.036 . . . . 49.48 110.509 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 137' ' ' THR . 1.1 m -139.3 99.51 3.76 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 120.259 -0.576 . . . . 56.36 111.041 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.63 153.77 25.27 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 117.62 -1.632 . . . . 57.81 106.872 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.99 -120.9 5.27 Favored Glycine 0 N--CA 1.485 1.93 0 N-CA-C 105.123 -3.191 . . . . 77.42 105.123 -174.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 46.49 -154.22 0.86 Allowed Glycine 0 N--CA 1.493 2.5 0 C-N-CA 119.962 -1.113 . . . . 73.15 112.666 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.45 HE21 ' N ' ' A' ' 141' ' ' GLN . 0.0 OUTLIER -104.25 -14.11 15.93 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 118.011 -1.476 . . . . 74.28 108.838 -176.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -86.94 143.93 27.17 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.561 -0.745 . . . . 45.31 111.382 179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . . . . . . . . . 25.2 mt -88.11 127.29 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 114.337 1.236 . . . . 30.25 114.337 -175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 46.4 p -124.21 3.62 8.54 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.517 -0.765 . . . . 25.86 111.416 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -112.59 142.03 45.65 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 120.152 -0.619 . . . . 43.26 111.519 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -132.99 168.37 18.59 Favored 'General case' 0 C--O 1.198 -1.649 0 CA-C-N 114.513 -1.221 . . . . 21.98 111.746 -173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.13 148.72 46.96 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 102.803 -3.036 . . . . 31.79 102.803 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' MET . . . . . . . . . . . . . 5.5 ttp -121.25 138.51 54.19 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 122.094 0.95 . . . . 36.26 111.487 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -115.56 129.35 56.49 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 107.831 -1.174 . . . . 28.13 107.831 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.31 144.53 38.01 Favored 'General case' 0 C--N 1.295 -1.804 0 C-N-CA 118.658 -1.217 . . . . 36.03 108.813 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.794 HG23 ' N ' ' A' ' 152' ' ' SER . 3.3 m -149.19 -145.66 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.29 -1.992 0 CA-C-N 115.044 -0.98 . . . . 55.74 109.475 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.794 ' N ' HG23 ' A' ' 151' ' ' VAL . 33.2 t 177.86 156.26 0.37 Allowed 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 112.862 -1.972 . . . . 92.24 107.781 177.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.296 -1.754 0 CA-C-O 116.883 -1.532 . . . . 111.66 109.911 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_