data_1irr_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 1irr _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 core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.064 0.459 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.608 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -90.06 -177.88 5.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.8 -57.29 9.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.558 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.98 5.38 76.38 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.756 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.608 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 3.7 m-85 -109.12 124.3 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.694 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.3 ttpp -116.43 148.26 40.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -77.53 139.4 39.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -95.87 137.76 34.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 6.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.729 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 14' ' ' THR . 24.4 t0 -150.28 2.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.646 0.26 . . . . 0.0 111.22 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.12 -120.66 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.841 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 17.4 mtp-105 -145.26 -155.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.704 0.287 . . . . 0.0 110.674 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.423 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 67.8 m -79.94 97.91 6.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -123.49 156.4 64.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.82 99.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.694 2.263 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.0 81.95 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.512 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.694 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.541 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.77 -177.48 6.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.477 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -50.5 -51.82 43.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.472 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.87 -1.55 90.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.748 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.541 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 9.2 m-85 -109.13 125.37 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -112.91 149.53 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 120.49 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 16' ' ' ASP . 1.9 p -87.01 130.24 34.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.06 8.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -137.72 -11.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.062 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.45 -114.87 1.61 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.808 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 6.6 mtp180 -149.05 -152.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.486 0.184 . . . . 0.0 110.523 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 100.0 m -79.32 96.86 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.959 0.409 . . . . 0.0 110.721 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.55 51.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.24 94.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.564 2.176 . . . . 0.0 112.474 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.38 80.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.413 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 77.3 t80 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.823 0.344 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.13 179.8 6.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.403 ' H ' ' HG1' ' A' ' 9' ' ' THR . 0.7 OUTLIER -53.38 -53.46 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.65 6.12 71.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.392 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 54.1 m-85 -112.79 119.32 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.064 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.742 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.5 ttmm -106.38 142.79 35.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 118.06 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 16' ' ' ASP . 40.8 p -79.62 131.53 36.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.66 13.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.57 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 14' ' ' THR . 9.7 t70 -144.0 -1.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.302 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.5 -109.28 0.75 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -150.34 -153.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 110.598 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 59.3 m -79.22 97.76 6.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -118.27 154.54 51.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.73 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.46 102.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.517 2.145 . . . . 0.0 112.125 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.9 p 46.83 71.96 0.27 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.524 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.742 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.626 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.2 177.4 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -53.63 -47.9 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.85 -10.69 80.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.308 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.626 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 19.4 m-85 -93.35 118.25 31.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -105.21 141.81 36.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -71.81 132.48 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 16' ' ' ASP . 14.7 p -100.73 129.89 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 16.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -143.19 4.98 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.333 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.82 -100.3 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.96 -154.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.0 m -79.65 105.19 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' ' OXT' ' A' ' 23' ' ' PHE . 7.1 mmtp -128.72 156.14 78.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.19 96.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.08 72.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.594 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.783 0.325 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.47 177.55 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -54.85 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.06 2.64 83.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.058 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.4 m-85 -105.23 123.35 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.69 0.281 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.646 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 12.6 tttt -109.31 146.14 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -74.76 109.39 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 16' ' ' ASP . 12.5 p -81.59 125.69 30.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 24.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 14' ' ' THR . 19.6 m-20 -138.09 -6.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.636 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -159.46 -155.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.658 0.265 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -79.26 99.88 7.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HB2' HG23 ' A' ' 14' ' ' THR . 1.8 mttp -118.7 155.44 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.683 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.21 99.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.426 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.59 77.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.646 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.1 t80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.8 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.553 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -74.5 -178.29 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.01 17.41 17.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.395 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.582 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 7.8 m-85 -112.59 128.64 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.679 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -116.31 144.6 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 122.34 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 16' ' ' ASP . 32.2 p -90.2 125.49 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.1 p-10 -132.93 -5.44 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.95 -99.9 0.18 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.8 mtp85 -151.73 -157.18 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 110.783 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 19.4 m -79.29 111.96 16.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -135.75 158.67 73.64 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.36 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.597 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p 44.66 79.39 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.679 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.15 177.7 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -54.47 40.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.09 8.42 63.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.243 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.487 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 5.1 m-85 -111.71 127.4 55.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 6.5 ttmm -119.76 142.87 48.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -73.6 118.63 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 16' ' ' ASP . 21.2 p -79.96 135.34 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.53 13.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -142.82 -1.92 1.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.245 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.38 -109.72 0.64 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.112 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 16.1 mtm-85 -149.56 -155.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.56 0.219 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 75.2 m -79.09 102.27 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -124.02 159.74 55.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.97 96.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.545 2.163 . . . . 0.0 112.615 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.57 82.21 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.569 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.56 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -77.7 -179.73 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.346 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -58.16 7.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.297 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.68 -1.17 90.09 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.56 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.1 m-85 -99.17 126.34 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.8 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HD3' ' HD1' ' A' ' 23' ' ' PHE . 51.7 tttm -109.54 149.99 28.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.479 HH11 ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.84 120.77 23.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 16' ' ' ASP . 10.0 p -88.38 126.12 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.64 22.61 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -142.44 -6.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.095 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.77 -96.97 0.17 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.669 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.3 ptt180 -157.11 -158.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.696 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -79.93 109.39 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -132.05 159.2 73.12 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.02 97.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.586 2.19 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.78 73.2 0.26 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.381 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.606 ' HD1' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.065 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.25 177.93 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.369 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.5 m -54.11 -53.74 49.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.04 5.88 82.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.525 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 6.4 m-85 -104.96 119.85 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.633 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 1.2 ttpt -104.94 146.46 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 122.67 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 16' ' ' ASP . 13.7 p -91.38 129.37 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 11.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.9 m-20 -133.57 -11.29 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.97 -107.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 31.1 mtt180 -152.62 -150.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.492 0.187 . . . . 0.0 110.582 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 73.0 m -78.99 95.07 5.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 110.685 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -113.14 157.28 41.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.668 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.29 94.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.604 2.203 . . . . 0.0 112.572 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.0 74.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.436 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.633 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.639 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -89.34 -179.12 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.327 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -53.22 -50.35 64.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.97 -4.71 89.67 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.334 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.639 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 37.7 m-85 -105.76 113.94 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.623 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 5.5 tptm -99.0 135.26 40.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.826 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.42 114.19 8.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.45 ' C ' ' H ' ' A' ' 16' ' ' ASP . 30.7 p -79.66 123.18 27.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.76 11.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -129.84 -5.46 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.095 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.49 -101.86 0.25 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.824 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 7.2 mtp180 -148.81 -156.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.649 0.261 . . . . 0.0 110.636 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 91.6 m -79.21 106.44 11.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -123.91 157.19 64.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.18 102.73 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.472 2.115 . . . . 0.0 111.959 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.15 68.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.623 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.49 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -64.81 178.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -57.11 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.246 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.45 -0.34 88.97 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.276 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 15.5 m-85 -101.21 130.09 47.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.378 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -119.06 146.0 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -77.92 118.07 19.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 20' ' ' LYS . 21.6 p -90.85 123.25 34.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.845 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.83 11.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -122.36 -10.09 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.989 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.19 -93.77 0.1 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.696 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -152.88 -157.95 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.64 0.257 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 43.9 m -78.77 92.54 4.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.956 0.408 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB2' HG22 ' A' ' 14' ' ' THR . 0.1 OUTLIER -107.61 152.22 41.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.519 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -48.27 102.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p 44.77 70.7 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.656 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.613 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 51.1 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.395 -0.812 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.851 0.358 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -81.52 -176.46 6.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.507 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -54.82 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.24 -3.03 89.68 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.752 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.507 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 81.6 m-85 -104.75 131.51 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.998 0.428 . . . . 0.0 110.966 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.683 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 16.6 tttm -117.88 144.85 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.706 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.562 HH11 ' HA ' ' A' ' 18' ' ' ARG . 5.9 tpt180 -79.66 123.38 27.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 16' ' ' ASP . 19.1 p -97.37 124.68 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.969 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 14' ' ' THR . 14.7 t70 -127.13 -16.94 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.84 -98.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HA ' HH11 ' A' ' 13' ' ' ARG . 2.2 mtt-85 -155.21 -155.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 63.9 m -79.27 93.03 5.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.858 0.361 . . . . 0.0 111.043 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.43 151.23 43.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.575 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.49 100.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.664 2.243 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.19 65.12 1.33 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.426 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.683 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 73.3 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.7 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -87.97 -177.79 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 m -53.13 -49.19 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.483 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.03 2.08 71.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.8 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.7 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 61.7 m-85 -105.38 139.17 40.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -129.05 141.2 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.734 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 124.68 27.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.442 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -82.68 134.84 35.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 4.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.849 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.4 m-20 -148.19 2.55 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.567 0.222 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -133.61 -121.42 2.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.955 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.4 mmt180 -145.12 -149.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.635 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 3.9 m -81.85 103.94 11.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -129.78 152.48 79.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.99 99.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 0.0 112.414 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.43 73.61 0.26 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.705 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 19.3 t80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 2.0 m . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -73.85 178.34 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.075 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.43 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.06 4.77 69.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.518 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 4.8 m-85 -97.82 127.48 43.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 13' ' ' ARG . 3.2 tmm_? -75.57 131.11 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.804 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -80.4 141.23 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 7.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.779 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.3 p-10 -156.66 9.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.623 0.249 . . . . 0.0 111.188 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.06 -121.21 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.671 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -142.56 -160.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.63 111.38 15.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HE3' ' HD2' ' A' ' 21' ' ' PRO . 2.1 mtpp -138.22 158.5 70.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD2' ' HE3' ' A' ' 20' ' ' LYS . 84.9 Cg_exo -45.73 93.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.627 2.218 . . . . 0.0 112.554 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.77 78.26 0.07 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.965 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.4 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.85 0.357 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.496 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.48 -177.86 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -70.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.326 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.43 33.68 4.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 9.5 m-85 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 10.8 tptm -131.65 137.54 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.55 126.82 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.558 ' HG1' ' HE3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -84.04 141.54 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 12.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.256 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.0 OUTLIER -152.29 6.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.16 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.14 -117.2 1.04 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 -156.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 0.0 110.825 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -79.35 96.59 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE3' ' HG1' ' A' ' 14' ' ' THR . 22.9 mtmt -117.43 159.27 42.45 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.509 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.25 93.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.573 2.182 . . . . 0.0 112.751 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.35 77.71 0.15 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.481 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.587 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.446 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -72.68 -179.67 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -50.6 69.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.19 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.48 -4.15 90.25 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 37.2 m-85 -103.95 132.14 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 9.1 tptp -123.76 139.02 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 134.62 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.766 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 16' ' ' ASP . 62.3 p -106.53 123.55 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.814 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 4.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.419 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 14' ' ' THR . 2.0 m-20 -116.66 -26.24 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.05 -98.26 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.768 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -153.18 -156.0 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.308 . . . . 0.0 111.003 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 69.4 m -79.34 98.44 6.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.241 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.64 156.34 46.32 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.364 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.21 96.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.604 2.203 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.1 77.42 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.295 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.626 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.578 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.27 177.86 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -47.62 75.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -5.59 81.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.424 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.4 m-85 -99.28 121.99 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.553 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -104.9 143.91 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.061 -179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -75.64 113.46 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 16' ' ' ASP . 23.0 p -84.61 127.01 33.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 16.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -134.21 -7.57 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.975 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.26 -99.52 0.23 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.637 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -155.36 -156.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 110.65 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 97.0 m -79.31 96.72 6.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -115.08 157.76 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.65 101.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.478 2.118 . . . . 0.0 112.132 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.36 76.17 0.15 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.238 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.553 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 2.5 t80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.894 0.378 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.585 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.27 178.92 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.402 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -51.71 -56.13 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.81 -0.39 84.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 10.4 m-85 -104.51 114.43 28.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 4.0 tptm -101.91 140.03 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 131.52 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.455 ' C ' ' H ' ' A' ' 16' ' ' ASP . 5.5 p -91.05 131.96 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.77 12.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.321 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.7 m-20 -142.03 -3.28 1.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.8 -113.44 1.09 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.761 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 23.3 mtt180 -146.83 -154.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.536 0.207 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 79.9 m -79.69 106.2 11.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.38 157.11 77.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.79 100.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.176 . . . . 0.0 111.96 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 48.1 76.09 0.12 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.636 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.966 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.677 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.4 m . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -62.96 178.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.389 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -62.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.2 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.97 16.87 19.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.201 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.677 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 27.9 m-85 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 11.0 tttt -124.64 145.06 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 122.46 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 16' ' ' ASP . 18.9 p -84.1 132.76 34.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.4 15.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.2 p-10 -144.56 2.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.31 -110.19 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -149.16 -154.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.621 0.248 . . . . 0.0 110.678 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.452 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 m -78.93 98.31 6.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 155.36 55.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.91 103.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.514 2.143 . . . . 0.0 112.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 p 46.06 76.85 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.413 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.705 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.0 t80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.954 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.0 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.899 0.38 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.32 -179.35 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.298 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.32 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.26 -1.03 87.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 7.3 m-85 -97.83 135.25 39.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.652 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 13.0 tptp -128.85 155.1 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 2.9 tmm_? -83.88 115.94 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 16' ' ' ASP . 34.6 p -79.65 137.46 37.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.115 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.21 12.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.553 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.2 p30 -151.59 12.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.73 -111.83 0.58 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.844 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -151.31 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.556 0.217 . . . . 0.0 110.633 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -79.14 79.54 5.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.96 149.54 36.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.15 96.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.62 2.213 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.01 118.32 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.59 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.652 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.0 p90 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.82 0.343 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.36 -17.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -107.76 16.39 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.035 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.69 -19.71 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.799 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.49 153.84 25.49 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.01 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.62 -106.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.222 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 164.38 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 111.652 -179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.608 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -90.06 -177.88 5.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.8 -57.29 9.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.558 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.98 5.38 76.38 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.756 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.608 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 3.7 m-85 -109.12 124.3 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.694 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.3 ttpp -116.43 148.26 40.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -77.53 139.4 39.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -95.87 137.76 34.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 6.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.729 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.441 ' H ' ' C ' ' A' ' 14' ' ' THR . 24.4 t0 -150.28 2.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.646 0.26 . . . . 0.0 111.22 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.12 -120.66 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.841 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 17.4 mtp-105 -145.26 -155.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.704 0.287 . . . . 0.0 110.674 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.423 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 67.8 m -79.94 97.91 6.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -123.49 156.4 64.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.82 99.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.694 2.263 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.0 81.95 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.512 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.694 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.826 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -129.65 -42.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.03 55.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.8 m -120.11 135.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.39 178.68 36.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.606 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.18 -132.1 2.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.517 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -93.41 149.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.829 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.541 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.77 -177.48 6.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.477 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -50.5 -51.82 43.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.472 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.87 -1.55 90.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.748 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 9.2 m-85 -109.13 125.37 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -112.91 149.53 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 120.49 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 16' ' ' ASP . 1.9 p -87.01 130.24 34.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.06 8.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -137.72 -11.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.062 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.45 -114.87 1.61 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.808 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.464 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 6.6 mtp180 -149.05 -152.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.486 0.184 . . . . 0.0 110.523 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 100.0 m -79.32 96.86 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.959 0.409 . . . . 0.0 110.721 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.55 51.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.24 94.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.564 2.176 . . . . 0.0 112.474 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.38 80.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.413 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 77.3 t80 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -104.14 -14.43 15.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -160.08 136.9 9.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.677 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.31 37.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.736 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.91 -124.25 4.17 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.57 -177.63 42.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -90.65 163.5 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.13 179.8 6.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.403 ' H ' ' HG1' ' A' ' 9' ' ' THR . 0.7 OUTLIER -53.38 -53.46 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.65 6.12 71.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.392 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 54.1 m-85 -112.79 119.32 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.064 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.742 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.5 ttmm -106.38 142.79 35.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 118.06 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 16' ' ' ASP . 40.8 p -79.62 131.53 36.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.66 13.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.57 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 14' ' ' THR . 9.7 t70 -144.0 -1.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.302 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.5 -109.28 0.75 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -150.34 -153.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 110.598 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 59.3 m -79.22 97.76 6.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -118.27 154.54 51.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.73 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.46 102.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.517 2.145 . . . . 0.0 112.125 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.9 p 46.83 71.96 0.27 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.524 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.742 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.74 0.305 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -153.53 130.96 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.85 27.01 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.27 24.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.87 150.41 22.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.394 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.04 134.22 3.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.556 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.93 164.18 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.626 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.2 177.4 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -53.63 -47.9 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.85 -10.69 80.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.308 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.626 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 19.4 m-85 -93.35 118.25 31.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -105.21 141.81 36.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -71.81 132.48 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 16' ' ' ASP . 14.7 p -100.73 129.89 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 16.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -143.19 4.98 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.333 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.82 -100.3 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.96 -154.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.0 m -79.65 105.19 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' HB2' ' OXT' ' A' ' 23' ' ' PHE . 7.1 mmtp -128.72 156.14 78.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.19 96.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.08 72.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.594 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.62 91.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -87.22 8.85 22.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -144.47 127.37 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.86 -157.98 8.65 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.38 103.67 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.669 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.93 157.61 18.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.47 177.55 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -54.85 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.06 2.64 83.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.058 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.4 m-85 -105.23 123.35 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.69 0.281 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.646 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 12.6 tttt -109.31 146.14 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -74.76 109.39 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 16' ' ' ASP . 12.5 p -81.59 125.69 30.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 24.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 14' ' ' THR . 19.6 m-20 -138.09 -6.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.636 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -159.46 -155.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.658 0.265 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -79.26 99.88 7.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HB2' HG23 ' A' ' 14' ' ' THR . 1.8 mttp -118.7 155.44 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.683 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.21 99.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.426 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.59 77.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.646 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.1 t80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.642 0.258 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 2' ' ' ASN . 2.0 t-20 -166.7 149.38 6.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.4 32.78 3.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.09 150.71 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.28 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.72 136.72 12.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.394 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.04 118.88 1.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.582 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.8 m -83.62 162.89 20.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.553 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -74.5 -178.29 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.01 17.41 17.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.395 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.582 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 7.8 m-85 -112.59 128.64 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.679 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -116.31 144.6 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 122.34 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 16' ' ' ASP . 32.2 p -90.2 125.49 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.1 p-10 -132.93 -5.44 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.95 -99.9 0.18 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.44 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.8 mtp85 -151.73 -157.18 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 110.783 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 19.4 m -79.29 111.96 16.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -135.75 158.67 73.64 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.36 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.597 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p 44.66 79.39 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.679 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -99.22 125.52 44.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.434 ' HB3' ' H ' ' A' ' 4' ' ' VAL . 1.1 m-85 -110.11 -140.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.434 ' H ' ' HB3' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -94.45 95.38 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.06 41.48 1.78 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.49 -107.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -84.81 153.93 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.15 177.7 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -54.47 40.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.09 8.42 63.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.243 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.487 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 5.1 m-85 -111.71 127.4 55.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.569 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 6.5 ttmm -119.76 142.87 48.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -73.6 118.63 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.435 ' C ' ' H ' ' A' ' 16' ' ' ASP . 21.2 p -79.96 135.34 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.53 13.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -142.82 -1.92 1.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.245 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.38 -109.72 0.64 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.112 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 16.1 mtm-85 -149.56 -155.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.56 0.219 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 75.2 m -79.09 102.27 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -124.02 159.74 55.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.97 96.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.545 2.163 . . . . 0.0 112.615 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.57 82.21 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.823 0.344 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.473 HD21 ' H ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -86.09 -176.62 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' H ' HD21 ' A' ' 2' ' ' ASN . 27.4 m-85 -127.46 13.86 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.52 -19.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.82 163.78 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.325 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.26 160.9 35.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.45 152.63 18.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.56 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -77.7 -179.73 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.346 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -58.16 7.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.297 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.68 -1.17 90.09 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.56 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.1 m-85 -99.17 126.34 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.8 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.606 ' HD3' ' HD1' ' A' ' 23' ' ' PHE . 51.7 tttm -109.54 149.99 28.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.479 HH11 ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.84 120.77 23.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 16' ' ' ASP . 10.0 p -88.38 126.12 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.64 22.61 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -142.44 -6.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.095 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.77 -96.97 0.17 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.669 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.479 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.3 ptt180 -157.11 -158.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.696 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -79.93 109.39 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -132.05 159.2 73.12 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.02 97.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.586 2.19 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.78 73.2 0.26 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.381 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.606 ' HD1' ' HD3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.065 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.91 165.06 11.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.88 92.44 5.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 m -142.26 172.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.43 172.44 22.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.592 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.33 6.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.81 157.65 24.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.25 177.93 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.369 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.5 m -54.11 -53.74 49.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.04 5.88 82.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.525 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 6.4 m-85 -104.96 119.85 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.633 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 1.2 ttpt -104.94 146.46 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 122.67 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.456 ' C ' ' H ' ' A' ' 16' ' ' ASP . 13.7 p -91.38 129.37 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 11.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.9 m-20 -133.57 -11.29 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.97 -107.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 31.1 mtt180 -152.62 -150.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.492 0.187 . . . . 0.0 110.582 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 73.0 m -78.99 95.07 5.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 110.685 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -113.14 157.28 41.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.668 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.29 94.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.604 2.203 . . . . 0.0 112.572 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 50.0 74.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.436 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.633 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.83 0.348 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -135.14 179.36 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.41 -152.5 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.95 44.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.53 108.26 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.393 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.59 132.48 2.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.406 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.93 158.32 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.639 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -89.34 -179.12 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.327 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -53.22 -50.35 64.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.97 -4.71 89.67 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.334 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.639 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 37.7 m-85 -105.76 113.94 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.623 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 5.5 tptm -99.0 135.26 40.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.826 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.42 114.19 8.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.45 ' C ' ' H ' ' A' ' 16' ' ' ASP . 30.7 p -79.66 123.18 27.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.76 11.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.45 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -129.84 -5.46 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.095 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.49 -101.86 0.25 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.824 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 7.2 mtp180 -148.81 -156.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.649 0.261 . . . . 0.0 110.636 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.45 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 91.6 m -79.21 106.44 11.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -123.91 157.19 64.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.18 102.73 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.472 2.115 . . . . 0.0 111.959 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.15 68.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.623 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.728 0.299 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -165.55 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -150.76 124.9 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -155.17 146.75 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.64 -126.99 2.67 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.36 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.54 171.76 41.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -126.53 158.93 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.49 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -64.81 178.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -57.11 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.246 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.45 -0.34 88.97 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.276 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.503 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 15.5 m-85 -101.21 130.09 47.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.378 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -119.06 146.0 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -77.92 118.07 19.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 20' ' ' LYS . 21.6 p -90.85 123.25 34.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.845 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.83 11.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -122.36 -10.09 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.989 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.19 -93.77 0.1 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.696 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -152.88 -157.95 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.64 0.257 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 43.9 m -78.77 92.54 4.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.956 0.408 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' HB2' HG22 ' A' ' 14' ' ' THR . 0.1 OUTLIER -107.61 152.22 41.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.519 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -48.27 102.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p 44.77 70.7 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.656 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.613 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 51.1 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.395 -0.812 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -124.63 163.3 22.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -146.78 107.94 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 m -135.92 -24.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.93 -143.84 3.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.554 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.24 17.79 18.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -94.02 160.5 14.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 111.153 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -81.52 -176.46 6.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.507 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -54.82 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.24 -3.03 89.68 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.752 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.507 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 81.6 m-85 -104.75 131.51 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.998 0.428 . . . . 0.0 110.966 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 16.6 tttm -117.88 144.85 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.706 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.562 HH11 ' HA ' ' A' ' 18' ' ' ARG . 5.9 tpt180 -79.66 123.38 27.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 16' ' ' ASP . 19.1 p -97.37 124.68 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.969 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 14' ' ' THR . 14.7 t70 -127.13 -16.94 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.84 -98.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HA ' HH11 ' A' ' 13' ' ' ARG . 2.2 mtt-85 -155.21 -155.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 63.9 m -79.27 93.03 5.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.858 0.361 . . . . 0.0 111.043 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.43 151.23 43.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.575 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.49 100.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.664 2.243 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.19 65.12 1.33 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.426 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.683 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.419 ' H1 ' ' HG2' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.31 43.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -152.08 120.62 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.99 -40.23 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.46 118.73 3.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.77 -156.96 22.38 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.672 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 73.3 m -102.6 174.56 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.7 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -87.97 -177.79 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 m -53.13 -49.19 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.483 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.03 2.08 71.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.8 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.7 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 61.7 m-85 -105.38 139.17 40.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -129.05 141.2 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.734 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 124.68 27.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.3 OUTLIER -82.68 134.84 35.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 4.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.849 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.4 m-20 -148.19 2.55 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.567 0.222 . . . . 0.0 111.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -133.61 -121.42 2.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.955 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.4 mmt180 -145.12 -149.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.635 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 3.9 m -81.85 103.94 11.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -129.78 152.48 79.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.99 99.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 0.0 112.414 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.43 73.61 0.26 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.705 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 19.3 t80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.726 0.298 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.03 170.65 8.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.13 13.95 6.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 m -101.63 157.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.99 4.29 31.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.308 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.82 176.97 22.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 2.0 m -95.89 159.89 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -73.85 178.34 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.075 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.43 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.06 4.77 69.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.518 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 4.8 m-85 -97.82 127.48 43.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 13' ' ' ARG . 3.2 tmm_? -75.57 131.11 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.804 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.446 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -80.4 141.23 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 7.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.779 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.3 p-10 -156.66 9.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.623 0.249 . . . . 0.0 111.188 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.06 -121.21 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.671 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -142.56 -160.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.63 111.38 15.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HE3' ' HD2' ' A' ' 21' ' ' PRO . 2.1 mtpp -138.22 158.5 70.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' HD2' ' HE3' ' A' ' 20' ' ' LYS . 84.9 Cg_exo -45.73 93.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.627 2.218 . . . . 0.0 112.554 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.77 78.26 0.07 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.965 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.445 ' H3 ' ' H ' ' A' ' 2' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.707 0.289 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.445 ' H ' ' H3 ' ' A' ' 1' ' ' GLU . 23.4 m-80 55.48 44.02 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.56 98.83 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 m -117.55 19.78 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.71 81.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.391 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.17 -162.03 35.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.609 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.523 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.4 m -86.44 163.5 17.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.211 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.48 -177.86 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -70.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.326 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.43 33.68 4.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 9.5 m-85 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 10.8 tptm -131.65 137.54 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.55 126.82 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.558 ' HG1' ' HE3' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -84.04 141.54 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 12.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.256 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.435 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.0 OUTLIER -152.29 6.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.16 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.14 -117.2 1.04 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 -156.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 0.0 110.825 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -79.35 96.59 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HE3' ' HG1' ' A' ' 14' ' ' THR . 22.9 mtmt -117.43 159.27 42.45 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.509 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.25 93.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.573 2.182 . . . . 0.0 112.751 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.35 77.71 0.15 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.481 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.587 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -145.45 153.98 41.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.09 32.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.42 133.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -149.43 5.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.644 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.93 -56.85 0.46 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.445 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -100.97 159.41 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.042 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -72.68 -179.67 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -50.6 69.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.19 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.48 -4.15 90.25 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 37.2 m-85 -103.95 132.14 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 9.1 tptp -123.76 139.02 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 134.62 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.766 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.465 ' C ' ' H ' ' A' ' 16' ' ' ASP . 62.3 p -106.53 123.55 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.814 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 4.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.419 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' H ' ' C ' ' A' ' 14' ' ' THR . 2.0 m-20 -116.66 -26.24 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.05 -98.26 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.768 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.475 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -153.18 -156.0 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.308 . . . . 0.0 111.003 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 69.4 m -79.34 98.44 6.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.241 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.64 156.34 46.32 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.364 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.21 96.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.604 2.203 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.1 77.42 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.295 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.626 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -92.71 70.0 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.34 23.16 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -0.32 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.019 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.14 -143.04 6.78 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.244 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.27 -121.73 1.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.806 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -88.28 162.26 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.578 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.27 177.86 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -47.62 75.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -5.59 81.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.424 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.578 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.4 m-85 -99.28 121.99 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.553 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -104.9 143.91 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.061 -179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -75.64 113.46 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 16' ' ' ASP . 23.0 p -84.61 127.01 33.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 16.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -134.21 -7.57 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.975 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.26 -99.52 0.23 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.637 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -155.36 -156.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 110.65 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 97.0 m -79.31 96.72 6.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -115.08 157.76 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.65 101.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.478 2.118 . . . . 0.0 112.132 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.36 76.17 0.15 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.238 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 2.5 t80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -116.26 -9.38 11.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -127.39 -158.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.4 m -89.29 -23.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.68 177.14 37.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.49 114.0 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 150.51 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.672 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.585 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.27 178.92 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.402 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -51.71 -56.13 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.81 -0.39 84.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 10.4 m-85 -104.51 114.43 28.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.636 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 4.0 tptm -101.91 140.03 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 131.52 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 ' C ' ' H ' ' A' ' 16' ' ' ASP . 5.5 p -91.05 131.96 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.77 12.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.321 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.7 m-20 -142.03 -3.28 1.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.8 -113.44 1.09 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.761 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 23.3 mtt180 -146.83 -154.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.536 0.207 . . . . 0.0 110.817 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 79.9 m -79.69 106.2 11.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.38 157.11 77.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.79 100.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.176 . . . . 0.0 111.96 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 48.1 76.09 0.12 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.636 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.966 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.82 0.343 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -145.41 158.3 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.1 122.2 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.8 m -83.78 30.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.379 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.21 -16.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.786 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.17 152.61 24.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.677 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.4 m -99.84 160.17 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.732 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -62.96 178.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.389 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -62.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.2 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.97 16.87 19.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.201 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.677 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 27.9 m-85 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 11.0 tttt -124.64 145.06 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 122.46 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 16' ' ' ASP . 18.9 p -84.1 132.76 34.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.4 15.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.2 p-10 -144.56 2.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.31 -110.19 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -149.16 -154.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.621 0.248 . . . . 0.0 110.678 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.452 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 m -78.93 98.31 6.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 155.36 55.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.91 103.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.514 2.143 . . . . 0.0 112.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 p 46.06 76.85 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.413 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.705 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.0 t80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.954 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.73 0.3 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.93 -168.61 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.75 4.33 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.49 158.29 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.14 -122.07 2.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.1 35.14 0.03 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.0 m -81.74 162.12 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.32 -179.35 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.298 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.32 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.26 -1.03 87.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.546 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 7.3 m-85 -97.83 135.25 39.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.652 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 13.0 tptp -128.85 155.1 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 2.9 tmm_? -83.88 115.94 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 16' ' ' ASP . 34.6 p -79.65 137.46 37.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.115 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.21 12.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.553 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.2 p30 -151.59 12.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.73 -111.83 0.58 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.844 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -151.31 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.556 0.217 . . . . 0.0 110.633 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -79.14 79.54 5.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.96 149.54 36.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.15 96.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.62 2.213 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.01 118.32 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.59 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.652 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.0 p90 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.064 0.459 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.665 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -90.06 -177.88 5.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.8 -57.29 9.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.558 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.98 5.38 76.38 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.756 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 3.7 m-85 -109.12 124.3 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.3 ttpp -116.43 148.26 40.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -77.53 139.4 39.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -95.87 137.76 34.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 6.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.729 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -150.28 2.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.646 0.26 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.12 -120.66 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.841 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 17.4 mtp-105 -145.26 -155.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.704 0.287 . . . . 0.0 110.674 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 67.8 m -79.94 97.91 6.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -123.49 156.4 64.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 72.0 Cg_exo -48.82 99.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.694 2.263 . . . . 0.0 112.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.0 81.95 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.512 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.77 -177.48 6.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.477 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -50.5 -51.82 43.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.472 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.87 -1.55 90.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.748 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 9.2 m-85 -109.13 125.37 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -112.91 149.53 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 120.49 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 23' ' ' PHE . 1.9 p -87.01 130.24 34.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.06 8.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -137.72 -11.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.062 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.45 -114.87 1.61 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.808 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 6.6 mtp180 -149.05 -152.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.486 0.184 . . . . 0.0 110.523 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 100.0 m -79.32 96.86 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.959 0.409 . . . . 0.0 110.721 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.55 51.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.24 94.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.564 2.176 . . . . 0.0 112.474 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.38 80.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 77.3 t80 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.823 0.344 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.13 179.8 6.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -53.46 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.65 6.12 71.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.392 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 54.1 m-85 -112.79 119.32 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.064 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.742 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.5 ttmm -106.38 142.79 35.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 118.06 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 p -79.62 131.53 36.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.66 13.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.57 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.0 -1.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.302 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.5 -109.28 0.75 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -150.34 -153.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 110.598 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 59.3 m -79.22 97.76 6.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -118.27 154.54 51.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.73 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.46 102.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.517 2.145 . . . . 0.0 112.125 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.9 p 46.83 71.96 0.27 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.524 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.742 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.698 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.2 177.4 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -53.63 -47.9 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.85 -10.69 80.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.308 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 19.4 m-85 -93.35 118.25 31.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -105.21 141.81 36.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -71.81 132.48 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 23' ' ' PHE . 14.7 p -100.73 129.89 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 16.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.19 4.98 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.333 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.82 -100.3 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.96 -154.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.0 m -79.65 105.19 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' OXT' ' A' ' 23' ' ' PHE . 7.1 mmtp -128.72 156.14 78.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.19 96.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.08 72.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.698 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.783 0.325 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.542 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.47 177.55 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -54.85 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.06 2.64 83.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.058 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.4 m-85 -105.23 123.35 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.69 0.281 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.709 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 12.6 tttt -109.31 146.14 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -74.76 109.39 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 23' ' ' PHE . 12.5 p -81.59 125.69 30.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 24.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -138.09 -6.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.636 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -159.46 -155.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.658 0.265 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -79.26 99.88 7.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -118.7 155.44 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.683 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.21 99.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.426 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.59 77.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' HA ' HG22 ' A' ' 14' ' ' THR . 3.1 t80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.8 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -74.5 -178.29 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.01 17.41 17.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.395 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 7.8 m-85 -112.59 128.64 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -116.31 144.6 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 122.34 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 23' ' ' PHE . 32.2 p -90.2 125.49 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.93 -5.44 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.95 -99.9 0.18 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.8 mtp85 -151.73 -157.18 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 110.783 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 19.4 m -79.29 111.96 16.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -135.75 158.67 73.64 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.36 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.597 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p 44.66 79.39 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.15 177.7 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -54.47 40.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.09 8.42 63.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.243 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 5.1 m-85 -111.71 127.4 55.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 6.5 ttmm -119.76 142.87 48.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -73.6 118.63 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 16' ' ' ASP . 21.2 p -79.96 135.34 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.53 13.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -142.82 -1.92 1.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.245 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.38 -109.72 0.64 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.112 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 16.1 mtm-85 -149.56 -155.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.56 0.219 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 75.2 m -79.09 102.27 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -124.02 159.74 55.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.97 96.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.545 2.163 . . . . 0.0 112.615 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.57 82.21 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.594 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -77.7 -179.73 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.346 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -58.16 7.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.297 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.68 -1.17 90.09 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 5.1 m-85 -99.17 126.34 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.8 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.608 ' HD3' ' HD1' ' A' ' 23' ' ' PHE . 51.7 tttm -109.54 149.99 28.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.84 120.77 23.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 23' ' ' PHE . 10.0 p -88.38 126.12 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.64 22.61 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -142.44 -6.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.095 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.77 -96.97 0.17 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.669 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.3 ptt180 -157.11 -158.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.696 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -79.93 109.39 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -132.05 159.2 73.12 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.02 97.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.586 2.19 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.78 73.2 0.26 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.381 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.701 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.065 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.25 177.93 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.369 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.5 m -54.11 -53.74 49.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.04 5.88 82.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 6.4 m-85 -104.96 119.85 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 1.2 ttpt -104.94 146.46 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 122.67 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 16' ' ' ASP . 13.7 p -91.38 129.37 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 11.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.9 m-20 -133.57 -11.29 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.97 -107.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 31.1 mtt180 -152.62 -150.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.492 0.187 . . . . 0.0 110.582 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 73.0 m -78.99 95.07 5.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 110.685 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -113.14 157.28 41.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.668 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.29 94.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.604 2.203 . . . . 0.0 112.572 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.402 ' H ' ' HA ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER 50.0 74.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.436 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.656 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.687 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -89.34 -179.12 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.327 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -53.22 -50.35 64.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.97 -4.71 89.67 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.334 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 37.7 m-85 -105.76 113.94 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.647 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 5.5 tptm -99.0 135.26 40.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.826 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.42 114.19 8.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 23' ' ' PHE . 30.7 p -79.66 123.18 27.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.76 11.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -129.84 -5.46 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.095 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.49 -101.86 0.25 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.824 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 7.2 mtp180 -148.81 -156.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.649 0.261 . . . . 0.0 110.636 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 91.6 m -79.21 106.44 11.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -123.91 157.19 64.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.18 102.73 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.472 2.115 . . . . 0.0 111.959 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.15 68.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.647 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.508 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -64.81 178.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -57.11 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.246 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.45 -0.34 88.97 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.276 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 15.5 m-85 -101.21 130.09 47.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.378 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -119.06 146.0 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -77.92 118.07 19.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HA ' ' A' ' 23' ' ' PHE . 21.6 p -90.85 123.25 34.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.845 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.83 11.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -122.36 -10.09 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.989 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.19 -93.77 0.1 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.696 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -152.88 -157.95 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.64 0.257 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 43.9 m -78.77 92.54 4.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.956 0.408 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 152.22 41.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.519 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -48.27 102.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p 44.77 70.7 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.656 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.635 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 51.1 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.395 -0.812 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.851 0.358 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' HD1' ' A' ' 11' ' ' PHE . . . -81.52 -176.46 6.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.507 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -54.82 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.24 -3.03 89.68 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.752 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 8' ' ' ALA . 81.6 m-85 -104.75 131.51 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.998 0.428 . . . . 0.0 110.966 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 16.6 tttm -117.88 144.85 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.706 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.59 HH11 ' HA ' ' A' ' 18' ' ' ARG . 5.9 tpt180 -79.66 123.38 27.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 23' ' ' PHE . 19.1 p -97.37 124.68 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.969 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 14.7 t70 -127.13 -16.94 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.84 -98.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HA ' HH11 ' A' ' 13' ' ' ARG . 2.2 mtt-85 -155.21 -155.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 63.9 m -79.27 93.03 5.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.858 0.361 . . . . 0.0 111.043 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.43 151.23 43.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.575 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.49 100.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.664 2.243 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.19 65.12 1.33 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.426 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 73.3 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.76 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -87.97 -177.79 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 m -53.13 -49.19 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.483 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.03 2.08 71.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.8 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.76 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 61.7 m-85 -105.38 139.17 40.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -129.05 141.2 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.734 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 124.68 27.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.68 134.84 35.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 4.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.849 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -148.19 2.55 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.567 0.222 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -133.61 -121.42 2.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.955 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 3.4 mmt180 -145.12 -149.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.635 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 3.9 m -81.85 103.94 11.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -129.78 152.48 79.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.99 99.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 0.0 112.414 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.43 73.61 0.26 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.729 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 19.3 t80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 2.0 m . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -73.85 178.34 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.075 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.43 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.06 4.77 69.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 4.8 m-85 -97.82 127.48 43.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 13' ' ' ARG . 3.2 tmm_? -75.57 131.11 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.804 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -80.4 141.23 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 7.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.779 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.3 p-10 -156.66 9.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.623 0.249 . . . . 0.0 111.188 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.06 -121.21 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.671 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -142.56 -160.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.63 111.38 15.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -138.22 158.5 70.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.73 93.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.627 2.218 . . . . 0.0 112.554 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.77 78.26 0.07 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.965 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.4 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.85 0.357 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.48 -177.86 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -70.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.326 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.43 33.68 4.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 9.5 m-85 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.607 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 10.8 tptm -131.65 137.54 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.55 126.82 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -84.04 141.54 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 12.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.256 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.0 OUTLIER -152.29 6.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.16 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.14 -117.2 1.04 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 -156.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 0.0 110.825 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -79.35 96.59 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -117.43 159.27 42.45 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.25 93.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.573 2.182 . . . . 0.0 112.751 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.35 77.71 0.15 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.481 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -72.68 -179.67 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -50.6 69.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.19 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.48 -4.15 90.25 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 37.2 m-85 -103.95 132.14 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.683 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 9.1 tptp -123.76 139.02 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 134.62 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.766 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' PHE . 62.3 p -106.53 123.55 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.814 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 4.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.419 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 14' ' ' THR . 2.0 m-20 -116.66 -26.24 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.05 -98.26 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.768 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -153.18 -156.0 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.308 . . . . 0.0 111.003 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 69.4 m -79.34 98.44 6.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.241 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.64 156.34 46.32 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.364 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.21 96.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.604 2.203 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.1 77.42 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.295 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.683 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.639 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.27 177.86 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -47.62 75.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -5.59 81.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.424 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.639 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.4 m-85 -99.28 121.99 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -104.9 143.91 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.061 -179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -75.64 113.46 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 23' ' ' PHE . 23.0 p -84.61 127.01 33.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 16.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.21 -7.57 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.26 -99.52 0.23 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.637 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -155.36 -156.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 110.65 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 97.0 m -79.31 96.72 6.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -115.08 157.76 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.65 101.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.478 2.118 . . . . 0.0 112.132 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.36 76.17 0.15 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.238 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' HA ' HG22 ' A' ' 14' ' ' THR . 2.5 t80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.894 0.378 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.27 178.92 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.402 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -51.71 -56.13 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.81 -0.39 84.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 10.4 m-85 -104.51 114.43 28.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 4.0 tptm -101.91 140.03 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 131.52 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 23' ' ' PHE . 5.5 p -91.05 131.96 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.77 12.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.321 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.7 m-20 -142.03 -3.28 1.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.8 -113.44 1.09 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.761 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.83 -154.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.536 0.207 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.69 106.2 11.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.38 157.11 77.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.79 100.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.176 . . . . 0.0 111.96 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 48.1 76.09 0.12 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.648 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.966 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.724 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.4 m . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -62.96 178.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.389 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -62.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.2 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.97 16.87 19.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.201 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.724 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 27.9 m-85 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 11.0 tttt -124.64 145.06 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 122.46 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 16' ' ' ASP . 18.9 p -84.1 132.76 34.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.4 15.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.2 p-10 -144.56 2.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.31 -110.19 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -149.16 -154.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.621 0.248 . . . . 0.0 110.678 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 m -78.93 98.31 6.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 155.36 55.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.91 103.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.514 2.143 . . . . 0.0 112.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 p 46.06 76.85 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.413 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.706 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.0 t80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.954 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.0 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.899 0.38 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.32 -179.35 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.298 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.32 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.26 -1.03 87.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.3 m-85 -97.83 135.25 39.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 13.0 tptp -128.85 155.1 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 2.9 tmm_? -83.88 115.94 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 23' ' ' PHE . 34.6 p -79.65 137.46 37.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.115 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.21 12.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.553 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -151.59 12.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.73 -111.83 0.58 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.844 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -151.31 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.556 0.217 . . . . 0.0 110.633 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -79.14 79.54 5.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.96 149.54 36.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.15 96.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.62 2.213 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.01 118.32 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.59 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.677 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.0 p90 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.82 0.343 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.431 ' H ' ' H ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -160.36 -17.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.431 ' H ' ' H ' ' A' ' 2' ' ' ASN . 2.4 m-85 -107.76 16.39 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.69 -19.71 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.799 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.49 153.84 25.49 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.01 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.62 -106.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.222 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 164.38 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 111.652 -179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -90.06 -177.88 5.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.8 -57.29 9.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.558 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.98 5.38 76.38 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.756 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.665 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 3.7 m-85 -109.12 124.3 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.3 ttpp -116.43 148.26 40.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -77.53 139.4 39.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -95.87 137.76 34.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 6.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.729 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -150.28 2.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.646 0.26 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.12 -120.66 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.841 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 17.4 mtp-105 -145.26 -155.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.704 0.287 . . . . 0.0 110.674 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 67.8 m -79.94 97.91 6.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -123.49 156.4 64.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 72.0 Cg_exo -48.82 99.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.694 2.263 . . . . 0.0 112.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.0 81.95 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.512 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.826 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -129.65 -42.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.03 55.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.8 m -120.11 135.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.39 178.68 36.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.606 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.18 -132.1 2.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -93.41 149.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.829 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.77 -177.48 6.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.477 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -50.5 -51.82 43.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.472 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.87 -1.55 90.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.748 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 9.2 m-85 -109.13 125.37 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -112.91 149.53 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 120.49 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 23' ' ' PHE . 1.9 p -87.01 130.24 34.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.06 8.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -137.72 -11.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.062 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.45 -114.87 1.61 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.808 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 6.6 mtp180 -149.05 -152.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.486 0.184 . . . . 0.0 110.523 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 100.0 m -79.32 96.86 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.959 0.409 . . . . 0.0 110.721 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.55 51.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.24 94.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.564 2.176 . . . . 0.0 112.474 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.38 80.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 77.3 t80 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -104.14 -14.43 15.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -160.08 136.9 9.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.677 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.31 37.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.736 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.91 -124.25 4.17 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.57 -177.63 42.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.5 m -90.65 163.5 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.13 179.8 6.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -53.46 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.65 6.12 71.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.392 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 54.1 m-85 -112.79 119.32 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.064 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.742 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.5 ttmm -106.38 142.79 35.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 118.06 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 p -79.62 131.53 36.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.66 13.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.57 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.0 -1.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.302 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.5 -109.28 0.75 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -150.34 -153.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 110.598 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 59.3 m -79.22 97.76 6.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -118.27 154.54 51.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.73 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.46 102.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.517 2.145 . . . . 0.0 112.125 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.9 p 46.83 71.96 0.27 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.524 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.742 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.74 0.305 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -153.53 130.96 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.85 27.01 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.27 24.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.87 150.41 22.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.394 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.04 134.22 3.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.556 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -102.93 164.18 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.698 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.2 177.4 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -53.63 -47.9 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.85 -10.69 80.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.308 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 19.4 m-85 -93.35 118.25 31.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -105.21 141.81 36.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -71.81 132.48 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 23' ' ' PHE . 14.7 p -100.73 129.89 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 16.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.19 4.98 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.333 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.82 -100.3 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.96 -154.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.0 m -79.65 105.19 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' OXT' ' A' ' 23' ' ' PHE . 7.1 mmtp -128.72 156.14 78.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.19 96.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.08 72.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.698 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.62 91.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -87.22 8.85 22.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -144.47 127.37 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.86 -157.98 8.65 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.38 103.67 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.669 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.93 157.61 18.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.542 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.47 177.55 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -54.85 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.06 2.64 83.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.058 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.4 m-85 -105.23 123.35 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.69 0.281 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.709 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 12.6 tttt -109.31 146.14 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -74.76 109.39 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 23' ' ' PHE . 12.5 p -81.59 125.69 30.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 24.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -138.09 -6.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.636 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -159.46 -155.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.658 0.265 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -79.26 99.88 7.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -118.7 155.44 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.683 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.21 99.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.426 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.59 77.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' HA ' HG22 ' A' ' 14' ' ' THR . 3.1 t80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.642 0.258 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -166.7 149.38 6.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.4 32.78 3.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.09 150.71 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.28 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.72 136.72 12.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.394 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.04 118.88 1.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.8 m -83.62 162.89 20.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -74.5 -178.29 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.01 17.41 17.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.395 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 7.8 m-85 -112.59 128.64 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -116.31 144.6 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 122.34 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 23' ' ' PHE . 32.2 p -90.2 125.49 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.93 -5.44 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.95 -99.9 0.18 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.8 mtp85 -151.73 -157.18 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 110.783 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 19.4 m -79.29 111.96 16.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -135.75 158.67 73.64 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.36 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.597 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p 44.66 79.39 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -99.22 125.52 44.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' A' ' 4' ' ' VAL . 1.1 m-85 -110.11 -140.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.477 ' H ' ' HB3' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -94.45 95.38 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.06 41.48 1.78 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.49 -107.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -84.81 153.93 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.15 177.7 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -54.47 40.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.09 8.42 63.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.243 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 5.1 m-85 -111.71 127.4 55.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 6.5 ttmm -119.76 142.87 48.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -73.6 118.63 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 16' ' ' ASP . 21.2 p -79.96 135.34 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.53 13.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -142.82 -1.92 1.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.245 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.38 -109.72 0.64 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.112 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 16.1 mtm-85 -149.56 -155.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.56 0.219 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 75.2 m -79.09 102.27 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -124.02 159.74 55.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.97 96.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.545 2.163 . . . . 0.0 112.615 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.57 82.21 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.823 0.344 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.09 -176.62 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -127.46 13.86 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.52 -19.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.82 163.78 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.325 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.26 160.9 35.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.45 152.63 18.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.594 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -77.7 -179.73 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.346 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -58.16 7.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.297 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.68 -1.17 90.09 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 5.1 m-85 -99.17 126.34 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.8 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.608 ' HD3' ' HD1' ' A' ' 23' ' ' PHE . 51.7 tttm -109.54 149.99 28.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.84 120.77 23.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 23' ' ' PHE . 10.0 p -88.38 126.12 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.64 22.61 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -142.44 -6.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.095 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.77 -96.97 0.17 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.669 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.3 ptt180 -157.11 -158.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.696 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -79.93 109.39 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -132.05 159.2 73.12 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.02 97.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.586 2.19 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.78 73.2 0.26 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.381 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.701 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.065 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.91 165.06 11.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.88 92.44 5.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 m -142.26 172.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.43 172.44 22.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.592 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.33 6.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.81 157.65 24.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.25 177.93 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.369 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.5 m -54.11 -53.74 49.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.04 5.88 82.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 6.4 m-85 -104.96 119.85 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 1.2 ttpt -104.94 146.46 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 122.67 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 16' ' ' ASP . 13.7 p -91.38 129.37 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 11.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.9 m-20 -133.57 -11.29 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.97 -107.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 31.1 mtt180 -152.62 -150.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.492 0.187 . . . . 0.0 110.582 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 73.0 m -78.99 95.07 5.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 110.685 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -113.14 157.28 41.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.668 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.29 94.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.604 2.203 . . . . 0.0 112.572 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' H ' ' HA ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER 50.0 74.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.436 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.83 0.348 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -135.14 179.36 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.403 ' HD1' ' H ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -145.41 -152.5 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.403 ' H ' ' HD1' ' A' ' 3' ' ' PHE . 2.3 t -111.95 44.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.53 108.26 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.393 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.59 132.48 2.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.406 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.93 158.32 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.687 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -89.34 -179.12 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.327 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -53.22 -50.35 64.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.97 -4.71 89.67 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.334 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 37.7 m-85 -105.76 113.94 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.647 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 5.5 tptm -99.0 135.26 40.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.826 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.42 114.19 8.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 23' ' ' PHE . 30.7 p -79.66 123.18 27.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.76 11.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -129.84 -5.46 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.095 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.49 -101.86 0.25 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.824 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 7.2 mtp180 -148.81 -156.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.649 0.261 . . . . 0.0 110.636 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 91.6 m -79.21 106.44 11.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -123.91 157.19 64.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.18 102.73 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.472 2.115 . . . . 0.0 111.959 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.15 68.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.647 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.728 0.299 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -165.55 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -150.76 124.9 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -155.17 146.75 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.64 -126.99 2.67 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.36 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.54 171.76 41.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -126.53 158.93 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -64.81 178.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -57.11 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.246 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.45 -0.34 88.97 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.276 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 15.5 m-85 -101.21 130.09 47.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.378 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -119.06 146.0 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -77.92 118.07 19.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HA ' ' A' ' 23' ' ' PHE . 21.6 p -90.85 123.25 34.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.845 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.83 11.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -122.36 -10.09 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.989 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.19 -93.77 0.1 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.696 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -152.88 -157.95 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.64 0.257 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 43.9 m -78.77 92.54 4.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.956 0.408 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 152.22 41.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.519 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -48.27 102.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p 44.77 70.7 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.656 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.635 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 51.1 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.395 -0.812 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -124.63 163.3 22.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -146.78 107.94 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 m -135.92 -24.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.93 -143.84 3.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.554 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.24 17.79 18.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -94.02 160.5 14.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 111.153 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' HD1' ' A' ' 11' ' ' PHE . . . -81.52 -176.46 6.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.507 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -54.82 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.24 -3.03 89.68 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.752 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 8' ' ' ALA . 81.6 m-85 -104.75 131.51 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.998 0.428 . . . . 0.0 110.966 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 16.6 tttm -117.88 144.85 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.706 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.59 HH11 ' HA ' ' A' ' 18' ' ' ARG . 5.9 tpt180 -79.66 123.38 27.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 23' ' ' PHE . 19.1 p -97.37 124.68 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.969 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 14.7 t70 -127.13 -16.94 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.84 -98.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HA ' HH11 ' A' ' 13' ' ' ARG . 2.2 mtt-85 -155.21 -155.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 63.9 m -79.27 93.03 5.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.858 0.361 . . . . 0.0 111.043 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.43 151.23 43.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.575 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.49 100.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.664 2.243 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.19 65.12 1.33 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.426 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.31 43.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -152.08 120.62 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.99 -40.23 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.46 118.73 3.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.77 -156.96 22.38 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.672 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 73.3 m -102.6 174.56 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.76 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -87.97 -177.79 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 m -53.13 -49.19 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.483 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.03 2.08 71.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.8 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.76 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 61.7 m-85 -105.38 139.17 40.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -129.05 141.2 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.734 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 124.68 27.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.68 134.84 35.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 4.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.849 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -148.19 2.55 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.567 0.222 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -133.61 -121.42 2.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.955 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 3.4 mmt180 -145.12 -149.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.635 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 3.9 m -81.85 103.94 11.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -129.78 152.48 79.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.99 99.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 0.0 112.414 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.43 73.61 0.26 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.729 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 19.3 t80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.726 0.298 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.03 170.65 8.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.13 13.95 6.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 m -101.63 157.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.99 4.29 31.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.308 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.82 176.97 22.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 2.0 m -95.89 159.89 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -73.85 178.34 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.075 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.43 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.06 4.77 69.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 4.8 m-85 -97.82 127.48 43.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 13' ' ' ARG . 3.2 tmm_? -75.57 131.11 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.804 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -80.4 141.23 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 7.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.779 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.3 p-10 -156.66 9.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.623 0.249 . . . . 0.0 111.188 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.06 -121.21 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.671 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -142.56 -160.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.63 111.38 15.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -138.22 158.5 70.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.73 93.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.627 2.218 . . . . 0.0 112.554 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.77 78.26 0.07 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.965 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.707 0.289 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 55.48 44.02 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.56 98.83 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 m -117.55 19.78 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.71 81.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.391 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.17 -162.03 35.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.609 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.4 m -86.44 163.5 17.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.211 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.48 -177.86 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -70.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.326 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.43 33.68 4.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 9.5 m-85 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.607 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 10.8 tptm -131.65 137.54 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.55 126.82 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -84.04 141.54 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 12.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.256 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.0 OUTLIER -152.29 6.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.16 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.14 -117.2 1.04 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 -156.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 0.0 110.825 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -79.35 96.59 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -117.43 159.27 42.45 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.25 93.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.573 2.182 . . . . 0.0 112.751 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.35 77.71 0.15 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.481 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' HB3' HG12 ' A' ' 4' ' ' VAL . 3.9 m-20 -145.45 153.98 41.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.09 32.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 2' ' ' ASN . 5.0 p -122.42 133.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -149.43 5.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.644 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.93 -56.85 0.46 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.445 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -100.97 159.41 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.042 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -72.68 -179.67 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -50.6 69.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.19 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.48 -4.15 90.25 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 37.2 m-85 -103.95 132.14 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 9.1 tptp -123.76 139.02 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 134.62 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.766 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' PHE . 62.3 p -106.53 123.55 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.814 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 4.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.419 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 14' ' ' THR . 2.0 m-20 -116.66 -26.24 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.05 -98.26 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.768 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -153.18 -156.0 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.308 . . . . 0.0 111.003 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 69.4 m -79.34 98.44 6.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.241 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.64 156.34 46.32 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.364 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.21 96.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.604 2.203 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.1 77.42 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.295 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.683 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -92.71 70.0 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.34 23.16 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -0.32 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.019 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.14 -143.04 6.78 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.244 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.27 -121.73 1.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.806 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -88.28 162.26 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.639 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.27 177.86 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -47.62 75.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -5.59 81.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.424 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.639 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.4 m-85 -99.28 121.99 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -104.9 143.91 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.061 -179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -75.64 113.46 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 23' ' ' PHE . 23.0 p -84.61 127.01 33.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 16.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.21 -7.57 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.26 -99.52 0.23 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.637 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -155.36 -156.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 110.65 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 97.0 m -79.31 96.72 6.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -115.08 157.76 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.65 101.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.478 2.118 . . . . 0.0 112.132 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.36 76.17 0.15 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.238 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' HA ' HG22 ' A' ' 14' ' ' THR . 2.5 t80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -116.26 -9.38 11.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 4' ' ' VAL . 52.5 m-85 -127.39 -158.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' H ' ' HB3' ' A' ' 3' ' ' PHE . 13.4 m -89.29 -23.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.68 177.14 37.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.49 114.0 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 150.51 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.672 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.27 178.92 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.402 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -51.71 -56.13 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.81 -0.39 84.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 10.4 m-85 -104.51 114.43 28.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 4.0 tptm -101.91 140.03 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 131.52 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 23' ' ' PHE . 5.5 p -91.05 131.96 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.77 12.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.321 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.7 m-20 -142.03 -3.28 1.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.8 -113.44 1.09 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.761 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.83 -154.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.536 0.207 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.69 106.2 11.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.38 157.11 77.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.79 100.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.176 . . . . 0.0 111.96 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 48.1 76.09 0.12 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.648 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.966 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.82 0.343 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -145.41 158.3 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.1 122.2 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.8 m -83.78 30.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.379 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.21 -16.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.786 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.17 152.61 24.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.724 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.4 m -99.84 160.17 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.732 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -62.96 178.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.389 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -62.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.2 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.97 16.87 19.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.201 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.724 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 27.9 m-85 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 11.0 tttt -124.64 145.06 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 122.46 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 16' ' ' ASP . 18.9 p -84.1 132.76 34.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.4 15.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.2 p-10 -144.56 2.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.31 -110.19 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -149.16 -154.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.621 0.248 . . . . 0.0 110.678 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 m -78.93 98.31 6.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 155.36 55.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.91 103.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.514 2.143 . . . . 0.0 112.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 p 46.06 76.85 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.413 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.706 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.0 t80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.954 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.73 0.3 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.93 -168.61 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.75 4.33 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.49 158.29 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.14 -122.07 2.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.1 35.14 0.03 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.0 m -81.74 162.12 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.32 -179.35 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.298 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.32 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.26 -1.03 87.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.3 m-85 -97.83 135.25 39.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 13.0 tptp -128.85 155.1 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 2.9 tmm_? -83.88 115.94 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 23' ' ' PHE . 34.6 p -79.65 137.46 37.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.115 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.21 12.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.553 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -151.59 12.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.73 -111.83 0.58 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.844 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -151.31 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.556 0.217 . . . . 0.0 110.633 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -79.14 79.54 5.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.96 149.54 36.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.15 96.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.62 2.213 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.01 118.32 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.59 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.677 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.0 p90 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.064 0.459 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.665 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -90.06 -177.88 5.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.8 -57.29 9.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.558 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.98 5.38 76.38 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.756 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.665 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 3.7 m-85 -109.12 124.3 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.3 ttpp -116.43 148.26 40.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -77.53 139.4 39.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -95.87 137.76 34.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 6.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.729 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -150.28 2.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.646 0.26 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.12 -120.66 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.841 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 17.4 mtp-105 -145.26 -155.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.704 0.287 . . . . 0.0 110.674 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.41 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 67.8 m -79.94 97.91 6.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -123.49 156.4 64.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 72.0 Cg_exo -48.82 99.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.694 2.263 . . . . 0.0 112.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.0 81.95 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.512 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.891 0.377 . . . . 0.0 110.829 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.599 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.77 -177.48 6.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.477 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -50.5 -51.82 43.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.472 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.87 -1.55 90.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.748 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 9.2 m-85 -109.13 125.37 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -112.91 149.53 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 120.49 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 23' ' ' PHE . 1.9 p -87.01 130.24 34.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.06 8.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -137.72 -11.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.062 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.45 -114.87 1.61 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.808 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 6.6 mtp180 -149.05 -152.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.486 0.184 . . . . 0.0 110.523 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 100.0 m -79.32 96.86 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.959 0.409 . . . . 0.0 110.721 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.55 51.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.24 94.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.564 2.176 . . . . 0.0 112.474 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.38 80.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.468 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 77.3 t80 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.823 0.344 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.13 179.8 6.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -53.46 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.65 6.12 71.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.392 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 54.1 m-85 -112.79 119.32 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.064 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.742 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.5 ttmm -106.38 142.79 35.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 118.06 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 p -79.62 131.53 36.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.66 13.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.57 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.0 -1.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.302 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.5 -109.28 0.75 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -150.34 -153.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 110.598 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 59.3 m -79.22 97.76 6.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -118.27 154.54 51.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.73 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.46 102.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.517 2.145 . . . . 0.0 112.125 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.9 p 46.83 71.96 0.27 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.524 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.742 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.698 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.2 177.4 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -53.63 -47.9 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.85 -10.69 80.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.308 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 19.4 m-85 -93.35 118.25 31.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -105.21 141.81 36.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -71.81 132.48 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 23' ' ' PHE . 14.7 p -100.73 129.89 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 16.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.19 4.98 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.333 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.82 -100.3 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.96 -154.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.0 m -79.65 105.19 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' OXT' ' A' ' 23' ' ' PHE . 7.1 mmtp -128.72 156.14 78.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.19 96.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.08 72.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.698 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.783 0.325 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.542 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.47 177.55 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -54.85 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.06 2.64 83.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.058 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.4 m-85 -105.23 123.35 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.69 0.281 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.709 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 12.6 tttt -109.31 146.14 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -74.76 109.39 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 23' ' ' PHE . 12.5 p -81.59 125.69 30.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 24.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -138.09 -6.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.636 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -159.46 -155.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.658 0.265 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -79.26 99.88 7.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -118.7 155.44 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.683 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.21 99.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.426 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.59 77.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' HA ' HG22 ' A' ' 14' ' ' THR . 3.1 t80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.8 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.571 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -74.5 -178.29 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.01 17.41 17.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.395 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.627 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 7.8 m-85 -112.59 128.64 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -116.31 144.6 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 122.34 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 23' ' ' PHE . 32.2 p -90.2 125.49 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.93 -5.44 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.95 -99.9 0.18 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.8 mtp85 -151.73 -157.18 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 110.783 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 19.4 m -79.29 111.96 16.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -135.75 158.67 73.64 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.36 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.597 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p 44.66 79.39 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.429 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.15 177.7 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -54.47 40.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.09 8.42 63.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.243 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 5.1 m-85 -111.71 127.4 55.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 6.5 ttmm -119.76 142.87 48.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -73.6 118.63 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 16' ' ' ASP . 21.2 p -79.96 135.34 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.53 13.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -142.82 -1.92 1.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.245 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.38 -109.72 0.64 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.112 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 16.1 mtm-85 -149.56 -155.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.56 0.219 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 75.2 m -79.09 102.27 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -124.02 159.74 55.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.97 96.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.545 2.163 . . . . 0.0 112.615 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.57 82.21 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.594 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -77.7 -179.73 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.346 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -58.16 7.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.297 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.68 -1.17 90.09 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 5.1 m-85 -99.17 126.34 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.8 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.608 ' HD3' ' HD1' ' A' ' 23' ' ' PHE . 51.7 tttm -109.54 149.99 28.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.84 120.77 23.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 23' ' ' PHE . 10.0 p -88.38 126.12 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.64 22.61 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -142.44 -6.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.095 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.77 -96.97 0.17 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.669 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.3 ptt180 -157.11 -158.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.696 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -79.93 109.39 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -132.05 159.2 73.12 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.02 97.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.586 2.19 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.78 73.2 0.26 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.381 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.701 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.065 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.25 177.93 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.369 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.5 m -54.11 -53.74 49.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.04 5.88 82.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 6.4 m-85 -104.96 119.85 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 1.2 ttpt -104.94 146.46 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 122.67 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 16' ' ' ASP . 13.7 p -91.38 129.37 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 11.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.9 m-20 -133.57 -11.29 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.97 -107.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 31.1 mtt180 -152.62 -150.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.492 0.187 . . . . 0.0 110.582 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 73.0 m -78.99 95.07 5.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 110.685 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -113.14 157.28 41.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.668 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.29 94.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.604 2.203 . . . . 0.0 112.572 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.402 ' H ' ' HA ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER 50.0 74.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.436 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.656 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.687 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -89.34 -179.12 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.327 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -53.22 -50.35 64.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.97 -4.71 89.67 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.334 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 37.7 m-85 -105.76 113.94 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.647 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 5.5 tptm -99.0 135.26 40.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.826 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.42 114.19 8.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 23' ' ' PHE . 30.7 p -79.66 123.18 27.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.76 11.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -129.84 -5.46 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.095 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.49 -101.86 0.25 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.824 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 7.2 mtp180 -148.81 -156.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.649 0.261 . . . . 0.0 110.636 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 91.6 m -79.21 106.44 11.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -123.91 157.19 64.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.18 102.73 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.472 2.115 . . . . 0.0 111.959 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.15 68.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.647 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.508 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -64.81 178.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -57.11 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.246 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.45 -0.34 88.97 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.276 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 15.5 m-85 -101.21 130.09 47.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.378 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -119.06 146.0 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -77.92 118.07 19.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HA ' ' A' ' 23' ' ' PHE . 21.6 p -90.85 123.25 34.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.845 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.83 11.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -122.36 -10.09 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.989 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.19 -93.77 0.1 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.696 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -152.88 -157.95 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.64 0.257 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 43.9 m -78.77 92.54 4.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.956 0.408 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 152.22 41.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.519 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -48.27 102.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p 44.77 70.7 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.656 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.635 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 51.1 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.395 -0.812 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.851 0.358 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' HD1' ' A' ' 11' ' ' PHE . . . -81.52 -176.46 6.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.507 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -54.82 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.24 -3.03 89.68 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.752 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 8' ' ' ALA . 81.6 m-85 -104.75 131.51 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.998 0.428 . . . . 0.0 110.966 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 16.6 tttm -117.88 144.85 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.706 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.59 HH11 ' HA ' ' A' ' 18' ' ' ARG . 5.9 tpt180 -79.66 123.38 27.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 23' ' ' PHE . 19.1 p -97.37 124.68 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.969 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 14.7 t70 -127.13 -16.94 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.84 -98.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HA ' HH11 ' A' ' 13' ' ' ARG . 2.2 mtt-85 -155.21 -155.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.449 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 63.9 m -79.27 93.03 5.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.858 0.361 . . . . 0.0 111.043 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.43 151.23 43.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.575 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.49 100.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.664 2.243 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.19 65.12 1.33 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.426 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.718 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 73.3 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.76 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -87.97 -177.79 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 m -53.13 -49.19 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.483 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.03 2.08 71.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.8 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.76 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 61.7 m-85 -105.38 139.17 40.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -129.05 141.2 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.734 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 124.68 27.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.68 134.84 35.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 4.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.849 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -148.19 2.55 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.567 0.222 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -133.61 -121.42 2.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.955 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 3.4 mmt180 -145.12 -149.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.635 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 3.9 m -81.85 103.94 11.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -129.78 152.48 79.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.99 99.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 0.0 112.414 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.43 73.61 0.26 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.729 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 19.3 t80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 2.0 m . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -73.85 178.34 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.075 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.43 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.06 4.77 69.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 4.8 m-85 -97.82 127.48 43.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 13' ' ' ARG . 3.2 tmm_? -75.57 131.11 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.804 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -80.4 141.23 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 7.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.779 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.3 p-10 -156.66 9.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.623 0.249 . . . . 0.0 111.188 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.06 -121.21 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.671 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -142.56 -160.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.63 111.38 15.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -138.22 158.5 70.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.73 93.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.627 2.218 . . . . 0.0 112.554 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.77 78.26 0.07 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.965 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.4 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.85 0.357 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.48 -177.86 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -70.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.326 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.43 33.68 4.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 9.5 m-85 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.607 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 10.8 tptm -131.65 137.54 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.55 126.82 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -84.04 141.54 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 12.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.256 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.0 OUTLIER -152.29 6.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.16 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.14 -117.2 1.04 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 -156.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 0.0 110.825 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -79.35 96.59 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -117.43 159.27 42.45 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.25 93.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.573 2.182 . . . . 0.0 112.751 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.35 77.71 0.15 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.481 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.607 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.811 0.338 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -72.68 -179.67 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -50.6 69.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.19 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.48 -4.15 90.25 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 37.2 m-85 -103.95 132.14 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.683 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 9.1 tptp -123.76 139.02 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 134.62 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.766 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' PHE . 62.3 p -106.53 123.55 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.814 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 4.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.419 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 14' ' ' THR . 2.0 m-20 -116.66 -26.24 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.05 -98.26 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.768 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -153.18 -156.0 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.308 . . . . 0.0 111.003 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 69.4 m -79.34 98.44 6.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.241 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.64 156.34 46.32 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.364 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.21 96.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.604 2.203 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.1 77.42 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.295 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.683 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.639 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.27 177.86 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -47.62 75.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -5.59 81.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.424 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.639 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.4 m-85 -99.28 121.99 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -104.9 143.91 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.061 -179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -75.64 113.46 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 23' ' ' PHE . 23.0 p -84.61 127.01 33.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 16.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.21 -7.57 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.26 -99.52 0.23 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.637 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -155.36 -156.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 110.65 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.428 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 97.0 m -79.31 96.72 6.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -115.08 157.76 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.65 101.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.478 2.118 . . . . 0.0 112.132 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.36 76.17 0.15 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.238 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.637 ' HA ' HG22 ' A' ' 14' ' ' THR . 2.5 t80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.894 0.378 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.27 178.92 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.402 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -51.71 -56.13 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.81 -0.39 84.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 10.4 m-85 -104.51 114.43 28.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 4.0 tptm -101.91 140.03 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 131.52 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 23' ' ' PHE . 5.5 p -91.05 131.96 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.77 12.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.321 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.7 m-20 -142.03 -3.28 1.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.8 -113.44 1.09 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.761 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.83 -154.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.536 0.207 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.69 106.2 11.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.38 157.11 77.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.79 100.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.176 . . . . 0.0 111.96 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 48.1 76.09 0.12 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.648 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.966 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.724 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.4 m . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.753 0.311 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.518 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -62.96 178.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.389 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -62.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.2 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.97 16.87 19.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.201 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.724 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 27.9 m-85 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 11.0 tttt -124.64 145.06 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 122.46 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 16' ' ' ASP . 18.9 p -84.1 132.76 34.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.4 15.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.2 p-10 -144.56 2.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.31 -110.19 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -149.16 -154.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.621 0.248 . . . . 0.0 110.678 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 m -78.93 98.31 6.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 155.36 55.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.91 103.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.514 2.143 . . . . 0.0 112.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 p 46.06 76.85 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.413 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.706 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.0 t80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.954 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.0 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.899 0.38 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.32 -179.35 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.298 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.32 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.26 -1.03 87.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.3 m-85 -97.83 135.25 39.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 13.0 tptp -128.85 155.1 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 2.9 tmm_? -83.88 115.94 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 23' ' ' PHE . 34.6 p -79.65 137.46 37.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.115 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.21 12.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.553 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -151.59 12.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.73 -111.83 0.58 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.844 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -151.31 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.556 0.217 . . . . 0.0 110.633 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -79.14 79.54 5.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.96 149.54 36.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.15 96.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.62 2.213 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.01 118.32 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.59 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.677 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.0 p90 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.82 0.343 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.431 ' H ' ' H ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -160.36 -17.51 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.431 ' H ' ' H ' ' A' ' 2' ' ' ASN . 2.4 m-85 -107.76 16.39 23.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.035 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.69 -19.71 6.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.016 0.436 . . . . 0.0 110.799 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.49 153.84 25.49 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.833 -0.622 . . . . 0.0 112.01 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.62 -106.23 0.4 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.222 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.57 164.38 18.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.064 0.459 . . . . 0.0 111.652 -179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.665 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -90.06 -177.88 5.29 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.132 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.8 -57.29 9.74 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.558 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.98 5.38 76.38 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.756 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.665 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 3.7 m-85 -109.12 124.3 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.886 0.374 . . . . 0.0 110.906 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.3 ttpp -116.43 148.26 40.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -77.53 139.4 39.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.422 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -95.87 137.76 34.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.13 6.82 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.729 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -150.28 2.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.646 0.26 . . . . 0.0 111.22 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.12 -120.66 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.528 -0.844 . . . . 0.0 112.841 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 17.4 mtp-105 -145.26 -155.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.704 0.287 . . . . 0.0 110.674 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.41 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 67.8 m -79.94 97.91 6.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -123.49 156.4 64.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' CZ ' ' A' ' 11' ' ' PHE . 72.0 Cg_exo -48.82 99.2 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.694 2.263 . . . . 0.0 112.506 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.0 81.95 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.512 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.058 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.826 0.345 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -129.65 -42.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.03 55.76 0.83 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.8 m -120.11 135.53 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.009 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.39 178.68 36.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.606 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.18 -132.1 2.34 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.349 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -93.41 149.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.829 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.599 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.77 -177.48 6.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.477 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -50.5 -51.82 43.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.472 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.87 -1.55 90.29 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.748 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.599 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 9.2 m-85 -109.13 125.37 52.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 111.038 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.1 OUTLIER -112.91 149.53 33.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 120.49 25.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.942 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 23' ' ' PHE . 1.9 p -87.01 130.24 34.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.06 8.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.17 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -137.72 -11.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.062 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.45 -114.87 1.61 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.808 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 6.6 mtp180 -149.05 -152.37 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.486 0.184 . . . . 0.0 110.523 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.407 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 100.0 m -79.32 96.86 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.959 0.409 . . . . 0.0 110.721 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.55 51.99 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.625 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.24 94.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.564 2.176 . . . . 0.0 112.474 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 51.38 80.38 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.279 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 77.3 t80 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.871 0.367 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -104.14 -14.43 15.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -160.08 136.9 9.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.677 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.31 37.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.736 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.91 -124.25 4.17 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -91.57 -177.63 42.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.563 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.43 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.5 m -90.65 163.5 14.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.13 179.8 6.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -53.46 50.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.272 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.65 6.12 71.08 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.392 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 54.1 m-85 -112.79 119.32 37.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 111.064 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.742 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 2.5 ttmm -106.38 142.79 35.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.472 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.71 118.06 19.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.228 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 p -79.62 131.53 36.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.66 13.99 0.42 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.57 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.0 -1.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.302 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -141.5 -109.28 0.75 Allowed Glycine 0 C--N 1.331 0.266 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.903 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -150.34 -153.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.652 0.263 . . . . 0.0 110.598 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 59.3 m -79.22 97.76 6.36 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.909 0.385 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -118.27 154.54 51.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.73 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.46 102.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.517 2.145 . . . . 0.0 112.125 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.9 p 46.83 71.96 0.27 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.524 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.742 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.046 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.74 0.305 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -153.53 130.96 11.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.85 27.01 9.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.27 24.54 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.076 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -146.87 150.41 22.68 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.394 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.04 134.22 3.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.556 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.434 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -102.93 164.18 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.698 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.2 177.4 8.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -53.63 -47.9 69.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.85 -10.69 80.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.308 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.698 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 19.4 m-85 -93.35 118.25 31.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.782 0.325 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.594 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -105.21 141.81 36.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.894 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -71.81 132.48 44.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 23' ' ' PHE . 14.7 p -100.73 129.89 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.975 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 16.59 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.363 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.19 4.98 1.45 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.333 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.82 -100.3 0.18 Allowed Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.96 -154.28 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.046 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 96.0 m -79.65 105.19 10.77 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HB2' ' OXT' ' A' ' 23' ' ' PHE . 7.1 mmtp -128.72 156.14 78.04 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -51.19 96.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.567 2.178 . . . . 0.0 112.401 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.08 72.99 0.39 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.084 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.698 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.65 0.262 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 57.62 91.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -87.22 8.85 22.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.768 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.2 p -144.47 127.37 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.86 -157.98 8.65 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.38 103.67 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.669 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -88.93 157.61 18.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 110.817 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.542 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.47 177.55 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -54.85 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.06 2.64 83.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.058 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.542 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 5.4 m-85 -105.23 123.35 47.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.69 0.281 . . . . 0.0 110.846 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.709 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 12.6 tttt -109.31 146.14 34.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -74.76 109.39 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.079 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.718 HG22 ' HA ' ' A' ' 23' ' ' PHE . 12.5 p -81.59 125.69 30.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.15 24.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.321 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -138.09 -6.41 1.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.61 -91.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.636 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.5 ptt-85 -159.46 -155.43 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.658 0.265 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 89.5 m -79.26 99.88 7.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.94 0.4 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -118.7 155.44 52.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.683 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -52.21 99.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.517 2.145 . . . . 0.0 112.426 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.59 77.63 0.15 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.31 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' HA ' HG22 ' A' ' 14' ' ' THR . 3.1 t80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.173 -0.917 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.642 0.258 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -166.7 149.38 6.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.4 32.78 3.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.09 150.71 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.28 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.72 136.72 12.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.394 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.04 118.88 1.44 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 1.8 m -83.62 162.89 20.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.129 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.571 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -74.5 -178.29 3.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.62 -66.23 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.382 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.01 17.41 17.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.395 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.627 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 7.8 m-85 -112.59 128.64 56.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.818 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.725 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -116.31 144.6 44.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.719 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.6 122.34 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.953 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.578 HG22 ' HA ' ' A' ' 23' ' ' PHE . 32.2 p -90.2 125.49 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.855 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.38 16.72 0.44 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -132.93 -5.44 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -152.95 -99.9 0.18 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 3.8 mtp85 -151.73 -157.18 0.78 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.698 0.285 . . . . 0.0 110.783 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 19.4 m -79.29 111.96 16.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.828 0.347 . . . . 0.0 110.777 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -135.75 158.67 73.64 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.36 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.554 2.169 . . . . 0.0 112.597 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p 44.66 79.39 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.644 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.725 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.969 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.485 1.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -99.22 125.52 44.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.477 ' HB3' ' H ' ' A' ' 4' ' ' VAL . 1.1 m-85 -110.11 -140.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.596 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.477 ' H ' ' HB3' ' A' ' 3' ' ' PHE . 0.3 OUTLIER -94.45 95.38 5.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.06 41.48 1.78 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.49 -107.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.8 OUTLIER -84.81 153.93 22.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.892 0.377 . . . . 0.0 110.859 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.429 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -71.15 177.7 3.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.301 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -54.47 40.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.965 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.09 8.42 63.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.243 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 5.1 m-85 -111.71 127.4 55.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.637 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 6.5 ttmm -119.76 142.87 48.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.782 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpp85 -73.6 118.63 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.998 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 16' ' ' ASP . 21.2 p -79.96 135.34 36.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.53 13.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.395 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.6 OUTLIER -142.82 -1.92 1.08 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.245 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.38 -109.72 0.64 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.112 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 16.1 mtm-85 -149.56 -155.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.56 0.219 . . . . 0.0 110.706 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 75.2 m -79.09 102.27 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -124.02 159.74 55.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.429 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -47.97 96.39 0.03 OUTLIER 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.545 2.163 . . . . 0.0 112.615 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.57 82.21 0.04 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.402 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.948 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.823 0.344 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.475 HD22 ' H ' ' A' ' 3' ' ' PHE . 0.1 OUTLIER -86.09 -176.62 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' H ' HD22 ' A' ' 2' ' ' ASN . 27.4 m-85 -127.46 13.86 7.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.52 -19.95 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.82 163.78 12.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.325 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.26 160.9 35.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.538 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.45 152.63 18.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 111.072 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.594 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -77.7 -179.73 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.346 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -58.16 7.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.297 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.68 -1.17 90.09 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.594 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 5.1 m-85 -99.17 126.34 44.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 110.8 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.608 ' HD3' ' HD1' ' A' ' 23' ' ' PHE . 51.7 tttm -109.54 149.99 28.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.496 HH11 ' HA ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -78.84 120.77 23.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.701 HG22 ' HA ' ' A' ' 23' ' ' PHE . 10.0 p -88.38 126.12 35.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.64 22.61 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.0 OUTLIER -142.44 -6.44 0.92 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.095 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.77 -96.97 0.17 Allowed Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.669 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HA ' HH11 ' A' ' 13' ' ' ARG . 10.3 ptt180 -157.11 -158.73 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.749 0.309 . . . . 0.0 110.696 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.1 m -79.93 109.39 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -132.05 159.2 73.12 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.02 97.44 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.586 2.19 . . . . 0.0 112.452 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.78 73.2 0.26 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.381 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.701 ' HA ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.065 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.818 0.342 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.91 165.06 11.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -98.88 92.44 5.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.995 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.5 m -142.26 172.83 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.43 172.44 22.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.592 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 177.33 6.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.81 157.65 24.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.25 177.93 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.369 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.5 m -54.11 -53.74 49.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.154 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.04 5.88 82.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 6.4 m-85 -104.96 119.85 40.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.949 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.656 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 1.2 ttpt -104.94 146.46 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.15 122.67 25.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.099 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 16' ' ' ASP . 13.7 p -91.38 129.37 37.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.85 11.62 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 14' ' ' THR . 4.9 m-20 -133.57 -11.29 2.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.97 -107.28 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.033 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 31.1 mtt180 -152.62 -150.9 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.492 0.187 . . . . 0.0 110.582 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.455 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 73.0 m -78.99 95.07 5.39 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.908 0.385 . . . . 0.0 110.685 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 mtmm -113.14 157.28 41.32 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.668 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -52.29 94.11 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.604 2.203 . . . . 0.0 112.572 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' H ' ' HA ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER 50.0 74.7 0.2 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.436 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.175 -0.916 . . . . 0.0 111.069 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.83 0.348 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 -135.14 179.36 6.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.403 ' HD1' ' H ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -145.41 -152.5 0.43 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.443 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.403 ' H ' ' HD1' ' A' ' 3' ' ' PHE . 2.3 t -111.95 44.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.023 0.44 . . . . 0.0 110.933 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.53 108.26 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.393 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.59 132.48 2.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.406 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.457 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -105.93 158.32 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.687 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -89.34 -179.12 5.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.327 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 m -53.22 -50.35 64.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.268 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.97 -4.71 89.67 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.334 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.687 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 37.7 m-85 -105.76 113.94 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.647 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 5.5 tptm -99.0 135.26 40.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.826 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -70.42 114.19 8.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.654 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.569 HG22 ' HA ' ' A' ' 23' ' ' PHE . 30.7 p -79.66 123.18 27.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.001 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.76 11.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.229 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.1 OUTLIER -129.84 -5.46 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.095 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.49 -101.86 0.25 Allowed Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.824 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 7.2 mtp180 -148.81 -156.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.649 0.261 . . . . 0.0 110.636 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 91.6 m -79.21 106.44 11.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.816 0.341 . . . . 0.0 110.663 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -123.91 157.19 64.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.701 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.18 102.73 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.472 2.115 . . . . 0.0 111.959 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.15 68.48 0.78 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.179 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.647 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.728 0.299 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -165.55 -34.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -150.76 124.9 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -155.17 146.75 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.64 -126.99 2.67 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.36 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 92.54 171.76 41.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.531 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -126.53 158.93 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.508 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -64.81 178.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.318 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -57.11 11.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.246 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.45 -0.34 88.97 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.276 179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 15.5 m-85 -101.21 130.09 47.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.895 0.378 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -119.06 146.0 45.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.651 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -77.92 118.07 19.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.611 HG22 ' HA ' ' A' ' 23' ' ' PHE . 21.6 p -90.85 123.25 34.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.845 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.83 11.79 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.159 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 14' ' ' THR . 0.3 OUTLIER -122.36 -10.09 8.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.989 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.19 -93.77 0.1 Allowed Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.696 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -152.88 -157.95 0.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.64 0.257 . . . . 0.0 110.779 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 43.9 m -78.77 92.54 4.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.956 0.408 . . . . 0.0 111.002 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.61 152.22 41.36 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.519 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -48.27 102.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.652 2.235 . . . . 0.0 112.652 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.4 p 44.77 70.7 0.32 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.656 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.635 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 51.1 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.395 -0.812 . . . . 0.0 111.033 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.823 0.344 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.1 m-20 -124.63 163.3 22.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -146.78 107.94 4.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 m -135.92 -24.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.93 -143.84 3.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.554 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.24 17.79 18.94 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.382 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.533 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -94.02 160.5 14.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.851 0.358 . . . . 0.0 111.153 -179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.72 ' HB3' ' HD1' ' A' ' 11' ' ' PHE . . . -81.52 -176.46 6.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.507 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.75 -54.82 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.464 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.24 -3.03 89.68 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.752 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.72 ' HD1' ' HB3' ' A' ' 8' ' ' ALA . 81.6 m-85 -104.75 131.51 52.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.998 0.428 . . . . 0.0 110.966 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.718 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 16.6 tttm -117.88 144.85 45.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.706 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.59 HH11 ' HA ' ' A' ' 18' ' ' ARG . 5.9 tpt180 -79.66 123.38 27.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 23' ' ' PHE . 19.1 p -97.37 124.68 41.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.969 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.4 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.5 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 14.7 t70 -127.13 -16.94 4.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.84 -98.42 0.39 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.685 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' HA ' HH11 ' A' ' 13' ' ' ARG . 2.2 mtt-85 -155.21 -155.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.597 0.237 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.449 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 63.9 m -79.27 93.03 5.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.858 0.361 . . . . 0.0 111.043 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.43 151.23 43.1 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.575 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -46.49 100.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.664 2.243 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.19 65.12 1.33 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.426 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.718 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.9 t80 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.797 0.332 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.31 43.06 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -152.08 120.62 6.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.6 m -117.99 -40.23 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.46 118.73 3.17 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.77 -156.96 22.38 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.672 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 73.3 m -102.6 174.56 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 0.0 111.085 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.76 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -87.97 -177.79 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.197 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 m -53.13 -49.19 67.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.483 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -93.03 2.08 71.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.8 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.76 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 61.7 m-85 -105.38 139.17 40.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.9 OUTLIER -129.05 141.2 51.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.734 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.11 124.68 27.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.68 134.84 35.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 4.48 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.849 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -148.19 2.55 0.67 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.567 0.222 . . . . 0.0 111.265 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 18' ' ' ARG . . . -133.61 -121.42 2.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.955 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 17' ' ' GLY . 3.4 mmt180 -145.12 -149.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 110.635 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.4 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 3.9 m -81.85 103.94 11.87 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -129.78 152.48 79.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -48.99 99.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.625 2.217 . . . . 0.0 112.414 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.43 73.61 0.26 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.209 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.729 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 19.3 t80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.007 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.726 0.298 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.03 170.65 8.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.13 13.95 6.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 m -101.63 157.51 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.99 4.29 31.9 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.308 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.82 176.97 22.86 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.411 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 2.0 m -95.89 159.89 14.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.115 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -73.85 178.34 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.075 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -64.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.43 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.06 4.77 69.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.535 ' HB2' ' N ' ' A' ' 8' ' ' ALA . 4.8 m-85 -97.82 127.48 43.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.789 0.328 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 141.11 50.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.74 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 13' ' ' ARG . 3.2 tmm_? -75.57 131.11 39.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.804 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.2 OUTLIER -80.4 141.23 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.78 7.99 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.779 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 14' ' ' THR . 5.3 p-10 -156.66 9.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.623 0.249 . . . . 0.0 111.188 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.06 -121.21 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.671 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -142.56 -160.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 -179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.5 m -79.63 111.38 15.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -138.22 158.5 70.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.341 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.73 93.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.627 2.218 . . . . 0.0 112.554 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.77 78.26 0.07 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.965 179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.707 0.289 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 55.48 44.02 27.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.56 98.83 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 m -117.55 19.78 6.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.222 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.71 81.87 0.31 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.391 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -85.17 -162.03 35.1 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.609 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.565 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.4 m -86.44 163.5 17.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.85 0.357 . . . . 0.0 111.211 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.48 -177.86 6.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -45.81 -70.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.326 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -88.43 33.68 4.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.342 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.565 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 9.5 m-85 -121.05 134.75 55.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.787 0.327 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.607 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 10.8 tptm -131.65 137.54 48.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.589 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.55 126.82 30.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -84.04 141.54 31.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.79 12.39 0.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.256 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.0 OUTLIER -152.29 6.54 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.16 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -146.14 -117.2 1.04 Allowed Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.895 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.29 -156.16 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.746 0.308 . . . . 0.0 110.825 -179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 98.8 m -79.35 96.59 6.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.951 0.405 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -117.43 159.27 42.45 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -47.25 93.54 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.573 2.182 . . . . 0.0 112.751 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.35 77.71 0.15 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.481 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.607 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.03 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' HB3' HG12 ' A' ' 4' ' ' VAL . 3.9 m-20 -145.45 153.98 41.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -104.09 32.5 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.786 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 2' ' ' ASN . 5.0 p -122.42 133.72 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.065 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.07 -149.43 5.51 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.644 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 112.93 -56.85 0.46 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.445 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -100.97 159.41 15.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.338 . . . . 0.0 111.042 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -72.68 -179.67 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.45 -50.6 69.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.19 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.48 -4.15 90.25 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.492 ' O ' ' HB2' ' A' ' 7' ' ' CYS . 37.2 m-85 -103.95 132.14 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.683 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 9.1 tptp -123.76 139.02 54.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.869 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 134.62 49.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.766 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 23' ' ' PHE . 62.3 p -106.53 123.55 48.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.814 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.53 4.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.419 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 14' ' ' THR . 2.0 m-20 -116.66 -26.24 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.957 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.05 -98.26 0.57 Allowed Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.768 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -153.18 -156.0 0.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.746 0.308 . . . . 0.0 111.003 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 69.4 m -79.34 98.44 6.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.963 0.411 . . . . 0.0 111.241 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.64 156.34 46.32 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.364 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -48.21 96.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.604 2.203 . . . . 0.0 112.487 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.1 77.42 0.15 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.295 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.683 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.942 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.831 0.348 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.4 m-20 -92.71 70.0 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.34 23.16 6.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -0.32 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.019 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -120.14 -143.04 6.78 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.244 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.27 -121.73 1.66 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.806 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.412 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -88.28 162.26 16.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 111.126 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.639 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -84.27 177.86 8.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -55.3 -47.62 75.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.49 -5.59 81.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.424 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.639 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.4 m-85 -99.28 121.99 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 0.0 OUTLIER -104.9 143.91 32.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.061 -179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 tpp85 -75.64 113.46 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.637 HG22 ' HA ' ' A' ' 23' ' ' PHE . 23.0 p -84.61 127.01 33.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.907 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.09 16.34 0.45 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.21 -7.57 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -147.26 -99.52 0.23 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.637 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -155.36 -156.26 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.579 0.228 . . . . 0.0 110.65 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.428 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 97.0 m -79.31 96.72 6.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.848 0.356 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -115.08 157.76 42.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.591 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -55.65 101.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.478 2.118 . . . . 0.0 112.132 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.36 76.17 0.15 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.238 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.637 ' HA ' HG22 ' A' ' 14' ' ' THR . 2.5 t80 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.774 0.321 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -116.26 -9.38 11.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.429 ' HB3' ' H ' ' A' ' 4' ' ' VAL . 52.5 m-85 -127.39 -158.64 0.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.66 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.429 ' H ' ' HB3' ' A' ' 3' ' ' PHE . 13.4 m -89.29 -23.59 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.848 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.68 177.14 37.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.328 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -161.49 114.0 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.42 150.51 20.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.894 0.378 . . . . 0.0 110.672 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -86.27 178.92 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.402 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -51.71 -56.13 15.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.199 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.81 -0.39 84.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 10.4 m-85 -104.51 114.43 28.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.728 0.299 . . . . 0.0 110.788 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.648 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 4.0 tptm -101.91 140.03 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.55 131.52 41.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 23' ' ' PHE . 5.5 p -91.05 131.96 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.77 12.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.321 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' A' ' 14' ' ' THR . 1.7 m-20 -142.03 -3.28 1.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.8 -113.44 1.09 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.761 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -146.83 -154.09 0.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.536 0.207 . . . . 0.0 110.817 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 79.9 m -79.69 106.2 11.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.9 0.381 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -129.38 157.11 77.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.548 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.79 100.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.563 2.176 . . . . 0.0 111.96 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 48.1 76.09 0.12 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.648 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.966 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.82 0.343 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -145.41 158.3 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -138.1 122.2 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.8 m -83.78 30.74 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.379 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.21 -16.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.786 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -148.17 152.61 24.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.517 -0.849 . . . . 0.0 112.866 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.724 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.4 m -99.84 160.17 14.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.732 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.518 ' N ' ' HB2' ' A' ' 11' ' ' PHE . . . -62.96 178.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.389 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -62.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.2 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.97 16.87 19.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.201 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.724 ' HB3' ' HB3' ' A' ' 7' ' ' CYS . 27.9 m-85 -117.87 131.59 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.901 0.381 . . . . 0.0 110.982 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.706 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 11.0 tttt -124.64 145.06 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.542 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.78 122.46 24.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 16' ' ' ASP . 18.9 p -84.1 132.76 34.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.943 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.4 15.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 14' ' ' THR . 6.2 p-10 -144.56 2.42 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.137 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.31 -110.19 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.755 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.431 ' HB3' ' H ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -149.16 -154.66 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.621 0.248 . . . . 0.0 110.678 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' H ' ' HB3' ' A' ' 18' ' ' ARG . 2.3 m -78.93 98.31 6.36 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.1 155.36 55.7 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.677 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -50.91 103.38 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.514 2.143 . . . . 0.0 112.421 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 55.8 p 46.06 76.85 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.413 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.706 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 3.0 t80 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.322 -0.847 . . . . 0.0 110.954 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.73 0.3 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.93 -168.61 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.75 4.33 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.2 m -140.49 158.29 24.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.14 -122.07 2.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.278 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.1 35.14 0.03 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.632 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 3.0 m -81.74 162.12 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.38 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . . . -79.32 -179.35 6.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.298 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -62.26 1.68 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.32 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.26 -1.03 87.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.542 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' ALA . 7.3 m-85 -97.83 135.25 39.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.86 0.362 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.677 ' HB3' ' H ' ' A' ' 23' ' ' PHE . 13.0 tptp -128.85 155.1 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 13' ' ' ARG . 2.9 tmm_? -83.88 115.94 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 HG22 ' HA ' ' A' ' 23' ' ' PHE . 34.6 p -79.65 137.46 37.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.115 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.21 12.91 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.553 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -151.59 12.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.73 -111.83 0.58 Allowed Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.435 -0.888 . . . . 0.0 112.844 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -151.31 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.556 0.217 . . . . 0.0 110.633 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.1 m -79.14 79.54 5.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.96 149.54 36.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -48.15 96.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.62 2.213 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.01 118.32 0.02 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.59 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.677 ' H ' ' HB3' ' A' ' 12' ' ' LYS . 5.0 p90 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.216 -0.897 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 stop_ save_