data_2m5n_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 2m5n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.45 38.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.374 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.5 mt -139.08 134.28 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.02 119.19 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB1' HD22 ' I' ' 6' ' ' LEU . . . -142.34 137.9 30.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.242 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.39 136.51 48.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.26 121.42 15.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -123.54 70.94 47.09 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.923 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.4 Cg_endo -66.53 141.64 61.79 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.62 2.213 . . . . 0.0 112.002 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' N ' HG22 ' I' ' 2' ' ' THR . 8.2 m-85 -133.72 140.97 47.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 23.0 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.49 37.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.515 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.434 HD13 ' OH ' ' I' ' 10' ' ' TYR . 32.6 mt -138.34 134.87 44.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.29 118.86 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.862 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.474 ' HB1' HD22 ' J' ' 6' ' ' LEU . . . -142.52 137.79 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.294 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.6 136.5 47.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.819 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.804 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.17 121.25 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.769 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -123.48 70.63 45.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.865 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.664 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.1 Cg_endo -64.43 145.41 87.88 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.353 2.035 . . . . 0.0 111.916 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.509 ' N ' HG22 ' J' ' 2' ' ' THR . 7.0 m-85 -136.73 138.41 40.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.514 ' HB2' ' HG1' ' J' ' 2' ' ' THR . 18.0 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.557 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.48 37.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.451 HD13 ' OH ' ' J' ' 10' ' ' TYR . 37.0 mt -138.39 134.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.35 118.91 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.003 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.484 ' HB1' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.14 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.693 0.282 . . . . 0.0 111.271 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.67 136.55 47.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.83 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.831 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.39 14.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.726 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 69.96 49.14 Favored Pre-proline 0 C--O 1.233 0.187 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.904 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.1 Cg_endo -64.79 144.43 83.53 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.44 ' N ' HG22 ' K' ' 2' ' ' THR . 7.4 m-85 -134.81 140.01 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.584 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 17.3 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.542 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.724 0.297 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.491 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.432 HD13 ' OH ' ' K' ' 10' ' ' TYR . 40.7 mt -138.17 134.63 44.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.38 118.87 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.864 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.558 ' HB1' HD22 ' L' ' 6' ' ' LEU . . . -142.41 137.61 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.701 0.286 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.39 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.725 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.831 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.34 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.758 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -124.3 70.19 52.83 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.929 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.712 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 33.2 Cg_endo -64.82 144.99 85.23 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.263 1.976 . . . . 0.0 111.956 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.413 ' N ' HG22 ' L' ' 2' ' ' THR . 7.0 m-85 -134.99 138.48 44.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.584 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 13.2 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.25 37.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.419 HD13 ' OH ' ' L' ' 10' ' ' TYR . 40.6 mt -138.08 134.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.25 118.75 11.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.798 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' M' ' 6' ' ' LEU . . . -142.62 137.64 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.57 48.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.794 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.49 121.47 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m -124.08 69.62 49.38 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.618 0.246 . . . . 0.0 111.029 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.644 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 31.2 Cg_endo -64.22 145.1 88.33 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.351 2.034 . . . . 0.0 111.718 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.48 138.61 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.638 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 10.7 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.563 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.658 0.266 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 139.98 37.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.82 134.32 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.57 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.606 ' HB1' HD22 ' N' ' 6' ' ' LEU . . . -142.58 137.74 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.5 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.735 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.5 121.35 14.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.24 69.46 50.61 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.644 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 32.8 Cg_endo -64.34 144.95 87.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.356 2.038 . . . . 0.0 111.652 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -134.74 138.01 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.638 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 13.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.485 ' HD1' ' H2 ' ' H' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.2 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.528 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -137.69 133.99 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.38 118.72 11.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.819 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.635 ' HB1' HD22 ' O' ' 6' ' ' LEU . . . -142.61 137.88 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.764 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.747 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.33 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.872 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.38 69.75 52.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-O 120.631 0.253 . . . . 0.0 111.046 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.597 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -65.26 143.24 76.5 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.342 2.028 . . . . 0.0 111.544 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.67 139.41 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 14.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.485 ' H2 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.2 38.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.339 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt -137.37 133.25 46.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.244 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.15 118.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.669 ' HB1' HD22 ' P' ' 6' ' ' LEU . . . -142.68 138.11 30.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.13 47.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.03 121.42 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.56 69.5 54.05 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.561 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.0 Cg_endo -64.81 141.84 73.48 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.359 2.039 . . . . 0.0 111.601 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.08 136.02 48.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.913 0.387 . . . . 0.0 111.559 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 9.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.854 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.79 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.381 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.8 mt -139.89 134.01 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.115 0.483 . . . . 0.0 111.715 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.415 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -141.06 119.39 12.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.851 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.67 138.27 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.488 HD22 HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.46 135.85 47.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.1 121.1 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.453 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 21.1 m -124.15 69.64 50.07 Favored Pre-proline 0 C--O 1.232 0.139 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.629 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.5 Cg_endo -64.76 144.72 84.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.316 2.011 . . . . 0.0 112.014 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.5 m-85 -132.66 142.14 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.289 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.758 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.722 0.296 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.514 ' HG1' ' HB2' ' B' ' 11' ' ' SER . 0.2 OUTLIER -139.21 140.36 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 111.425 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -139.13 134.65 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.269 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.526 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -141.33 119.54 12.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.582 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.91 138.32 31.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.647 0.261 . . . . 0.0 111.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.556 HD22 HD22 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.39 48.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.854 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 120.93 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -124.22 70.08 51.8 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.612 0.244 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.642 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 35.7 Cg_endo -65.69 144.72 79.16 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.366 2.044 . . . . 0.0 112.098 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.557 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.4 m-85 -133.26 142.28 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.4 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.503 ' H2 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.768 0.318 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.495 ' HG1' ' HB2' ' C' ' 11' ' ' SER . 0.2 OUTLIER -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.447 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.09 135.15 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.553 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -141.59 119.36 11.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 137.81 31.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.567 HD22 HD22 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.26 136.33 48.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.879 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.04 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.667 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 18.6 m -124.59 69.57 54.45 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.673 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 33.9 Cg_endo -65.29 145.13 82.96 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.45 2.1 . . . . 0.0 112.051 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.3 m-85 -133.96 141.86 47.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.703 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 12.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.503 ' HD1' ' H2 ' ' K' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.761 0.315 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.413 HG22 ' N ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.46 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.444 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -139.58 135.15 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.284 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.5 119.6 12.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.772 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -141.9 137.95 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.694 0.283 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.558 HD22 ' HB1' ' D' ' 5' ' ' ALA . 0.6 OUTLIER -131.28 136.31 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.799 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.93 120.92 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -124.38 69.87 53.04 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.673 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.6 Cg_endo -65.29 145.15 82.99 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.485 2.123 . . . . 0.0 112.174 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.4 m-85 -134.33 141.64 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.703 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.425 ' H2 ' ' HD1' ' N' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.51 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.536 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.01 135.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.309 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.5 119.44 11.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.691 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.03 137.82 31.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.678 0.275 . . . . 0.0 111.258 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.41 136.55 48.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.971 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.718 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.81 120.91 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.724 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -124.45 69.56 53.04 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.854 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.3 Cg_endo -65.06 145.15 84.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.459 2.106 . . . . 0.0 112.052 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.563 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.8 m-85 -134.37 141.24 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.654 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 16.4 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.425 ' HD1' ' H2 ' ' M' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.409 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.37 140.73 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.431 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -140.58 135.43 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.088 0.47 . . . . 0.0 111.376 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.5 119.46 11.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.08 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.59 0.233 . . . . 0.0 111.332 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.606 HD22 ' HB1' ' F' ' 5' ' ' ALA . 0.6 OUTLIER -131.28 136.24 47.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.95 13.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.687 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -124.34 69.31 51.36 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.655 0.264 . . . . 0.0 110.797 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 32.2 Cg_endo -64.7 145.68 87.18 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.46 2.107 . . . . 0.0 112.035 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.453 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.8 m-85 -134.97 141.2 46.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 17.6 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.453 ' H2 ' ' HD1' ' P' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.724 0.297 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.516 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.25 140.7 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.658 -179.373 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mt -141.11 135.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.527 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.62 119.46 11.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.763 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.22 137.55 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 0.0 111.263 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.635 HD22 ' HB1' ' G' ' 5' ' ' ALA . 0.5 OUTLIER -131.33 136.31 47.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.91 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.685 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -124.45 69.53 52.95 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.722 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.0 Cg_endo -64.84 145.45 86.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.512 2.141 . . . . 0.0 112.17 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -135.57 141.54 45.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.603 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 19.4 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.453 ' HD1' ' H2 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.55 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.433 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 mt -139.84 136.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.225 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.31 119.6 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 137.37 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.583 0.23 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.669 HD22 ' HB1' ' H' ' 5' ' ' ALA . 0.5 OUTLIER -131.04 136.37 48.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.702 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.18 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 17.2 m -125.14 71.17 62.82 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.722 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.5 Cg_endo -66.28 144.6 75.11 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.27 140.57 45.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.587 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 20.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.2 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.3 mt -139.3 133.57 39.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.94 119.35 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.799 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' I' ' 6' ' ' LEU . . . -141.86 137.69 31.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.84 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.43 121.45 15.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -123.64 70.41 46.74 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.901 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.698 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -65.99 142.08 66.98 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.544 2.163 . . . . 0.0 112.181 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.57 ' N ' HG21 ' I' ' 2' ' ' THR . 7.1 m-85 -134.67 141.06 46.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.568 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.3 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.44 HD11 ' OH ' ' I' ' 10' ' ' TYR . 38.0 mt -138.48 134.48 43.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.28 118.9 11.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.651 ' HB2' HD21 ' J' ' 6' ' ' LEU . . . -142.34 137.09 30.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.265 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.45 136.51 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.28 121.13 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.41 70.18 43.93 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.626 0.251 . . . . 0.0 110.936 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.707 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 30.7 Cg_endo -64.28 145.18 88.19 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.339 2.026 . . . . 0.0 112.135 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.594 ' N ' HG21 ' J' ' 2' ' ' THR . 6.8 m-85 -136.66 140.14 42.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.422 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.6 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.562 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.701 0.286 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.34 37.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.459 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.406 HD11 ' OH ' ' J' ' 10' ' ' TYR . 41.0 mt -138.43 134.16 43.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.036 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.93 11.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.747 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' K' ' 6' ' ' LEU . . . -142.48 137.03 30.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 0.0 111.258 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.24 136.33 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.76 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.4 14.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.58 69.73 44.53 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-O 120.666 0.27 . . . . 0.0 111.069 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.707 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 30.5 Cg_endo -63.87 144.88 89.58 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.325 2.017 . . . . 0.0 111.895 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.556 ' N ' HG21 ' K' ' 2' ' ' THR . 6.4 m-85 -136.3 139.57 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.848 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.564 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.809 0.337 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.38 140.23 37.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.401 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 mt -138.35 134.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.34 118.73 11.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.736 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.688 ' HB2' HD21 ' L' ' 6' ' ' LEU . . . -142.47 137.14 30.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.676 0.275 . . . . 0.0 111.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.3 136.39 48.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.789 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.41 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -123.7 69.6 45.42 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.648 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 32.2 Cg_endo -64.46 144.65 85.94 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.336 2.024 . . . . 0.0 111.843 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.515 ' N ' HG21 ' L' ' 2' ' ' THR . 6.1 m-85 -135.17 139.79 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.991 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.493 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.497 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.647 0.26 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.27 37.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.19 134.35 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.47 118.96 11.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.864 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.725 ' HB2' HD21 ' M' ' 6' ' ' LEU . . . -142.44 137.12 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.693 0.282 . . . . 0.0 111.337 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.48 47.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.789 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.55 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 43.1 m -123.87 69.35 46.55 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.969 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.634 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 32.0 Cg_endo -64.03 144.59 87.99 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.331 2.021 . . . . 0.0 111.748 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.54 ' H ' HG21 ' M' ' 2' ' ' THR . 6.0 m-85 -135.34 138.09 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.507 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.675 0.274 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.15 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -138.06 133.83 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.45 118.66 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.748 ' HB2' HD21 ' N' ' 6' ' ' LEU . . . -142.66 137.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.272 . . . . 0.0 111.297 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.63 48.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.825 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.39 14.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.874 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -124.12 69.26 48.93 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.64 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 30.2 Cg_endo -63.7 144.98 90.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.823 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.585 ' H ' HG21 ' N' ' 2' ' ' THR . 6.0 m-85 -135.56 137.89 42.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.184 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.591 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.816 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.47 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.725 0.298 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.14 37.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -138.05 133.78 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -141.38 118.76 11.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.86 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.742 ' HB2' HD21 ' O' ' 6' ' ' LEU . . . -142.69 137.3 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.662 0.267 . . . . 0.0 111.375 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.58 48.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.709 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.53 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -124.25 68.81 49.18 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 31.6 Cg_endo -63.71 144.7 89.92 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.372 2.048 . . . . 0.0 111.548 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.497 ' H ' HG21 ' O' ' 2' ' ' THR . 5.6 m-85 -134.74 139.3 45.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.031 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.591 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.977 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.697 0.284 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 139.89 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.399 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -137.42 133.02 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.94 118.52 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' P' ' 6' ' ' LEU . . . -142.69 137.66 30.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.462 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.27 47.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.867 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.641 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.52 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.721 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.46 68.09 49.48 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.979 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.476 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.5 Cg_endo -63.42 142.55 85.62 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.339 2.026 . . . . 0.0 111.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -132.1 137.22 47.65 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.542 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -139.77 134.11 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.097 0.475 . . . . 0.0 111.546 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.32 119.5 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.819 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.65 137.8 32.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -131.55 136.26 47.69 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.028 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.31 120.93 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.433 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.69 68.71 43.07 Favored Pre-proline 0 C--O 1.232 0.162 0 CA-C-O 120.561 0.22 . . . . 0.0 110.821 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.4 Cg_endo -63.72 145.03 90.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.372 2.048 . . . . 0.0 112.053 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 6.3 m-85 -133.41 141.86 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.614 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.594 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.68 37.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -139.31 134.71 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.329 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.85 12.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.659 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.7 137.76 31.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.197 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' B' ' 5' ' ' ALA . 0.5 OUTLIER -131.33 136.33 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.804 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.08 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -124.3 69.18 50.61 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-O 120.657 0.265 . . . . 0.0 110.925 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.661 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 31.9 Cg_endo -64.77 145.21 85.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.507 2.138 . . . . 0.0 112.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.562 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.4 m-85 -134.57 141.71 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.727 0.299 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.556 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.55 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.327 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.61 135.16 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.371 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.78 119.59 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.657 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.76 137.51 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.661 0.267 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' C' ' 5' ' ' ALA . 0.6 OUTLIER -131.32 136.42 48.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.98 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -124.49 68.78 51.61 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 120.614 0.245 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 31.4 Cg_endo -64.48 145.41 87.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.431 2.087 . . . . 0.0 112.178 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.564 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 6.9 m-85 -134.45 141.74 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.623 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 6.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.685 0.278 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.515 HG21 ' N ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.7 140.48 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.365 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -139.76 135.46 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.64 119.68 12.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.01 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.671 0.272 . . . . 0.0 111.183 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' D' ' 5' ' ' ALA . 0.6 OUTLIER -131.46 136.25 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.887 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.89 121.02 13.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.17 68.7 48.11 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.93 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.709 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.19 145.21 88.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.45 2.1 . . . . 0.0 112.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.497 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.0 m-85 -134.58 141.77 46.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 7.1 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.71 0.29 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.54 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.59 140.32 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.481 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 mt -139.74 135.28 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.65 119.6 11.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.723 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.08 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.601 0.238 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.39 136.38 47.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.899 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.68 13.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -123.95 68.69 45.78 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.71 0.291 . . . . 0.0 110.879 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.709 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 30.6 Cg_endo -64.16 145.33 88.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.601 2.201 . . . . 0.0 112.193 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.507 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.0 m-85 -135.21 141.14 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.544 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.799 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.585 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.51 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.43 135.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.54 119.67 12.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.652 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.614 0.245 . . . . 0.0 111.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' F' ' 5' ' ' ALA . 0.5 OUTLIER -131.56 136.43 47.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.66 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.81 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.728 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -124.2 68.77 48.63 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.665 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.16 145.75 89.57 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.557 2.171 . . . . 0.0 112.118 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.47 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.1 m-85 -135.83 140.72 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.505 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.497 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.5 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.3 135.29 31.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.105 0.479 . . . . 0.0 111.439 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.61 119.64 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.712 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.9 137.18 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.742 HD21 ' HB2' ' G' ' 5' ' ' ALA . 0.5 OUTLIER -131.56 136.27 47.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.877 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.88 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 49.6 m -124.49 68.7 51.46 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.677 0.275 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.719 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.2 Cg_endo -64.39 145.4 88.03 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.46 2.107 . . . . 0.0 112.223 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.5 141.38 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.5 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.76 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.529 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -140.7 135.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.35 119.73 12.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.48 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.569 0.224 . . . . 0.0 111.317 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' H' ' 5' ' ' ALA . 0.6 OUTLIER -131.47 136.52 48.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.678 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.16 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -124.93 70.44 59.72 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.719 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.3 Cg_endo -65.69 145.04 80.31 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.598 2.199 . . . . 0.0 112.375 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -136.17 141.14 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.498 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.685 0.279 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.409 ' HB ' HG21 ' B' ' 2' ' ' THR . 0.2 OUTLIER -138.96 140.24 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.58 133.36 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.92 118.98 11.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.24 31.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.15 136.58 48.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.69 121.33 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -123.81 70.42 48.48 Favored Pre-proline 0 C--O 1.232 0.154 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.687 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.8 Cg_endo -66.58 142.0 62.96 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.172 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.577 ' N ' HG23 ' I' ' 2' ' ' THR . 9.7 m-85 -134.68 140.58 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.6 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.739 0.304 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.409 HG21 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.406 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.558 HD12 ' HH ' ' I' ' 10' ' ' TYR . 39.4 mt -138.06 133.92 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.366 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.3 118.98 11.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.837 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.44 138.15 30.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.414 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.21 136.65 48.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.717 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.99 121.16 14.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -123.76 70.27 47.68 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.687 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.8 Cg_endo -65.24 144.74 82.06 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.216 1.944 . . . . 0.0 112.106 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.521 ' N ' HG23 ' J' ' 2' ' ' THR . 9.1 m-85 -136.56 139.43 42.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.802 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.582 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.685 0.279 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' THR . . . . . 0.41 ' HB ' HG21 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.14 140.13 37.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.318 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.577 HD12 ' HH ' ' J' ' 10' ' ' TYR . 40.8 mt -137.79 133.63 45.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.83 11.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.714 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.39 138.35 31.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.651 0.262 . . . . 0.0 111.332 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 136.64 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.19 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.735 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -123.9 69.67 47.69 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.701 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.7 Cg_endo -64.98 144.86 84.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.387 2.058 . . . . 0.0 112.071 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.466 ' H ' HG23 ' K' ' 2' ' ' THR . 8.7 m-85 -135.86 139.35 43.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.552 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' THR . . . . . 0.423 ' HB ' HG21 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.1 140.32 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.256 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.539 HD12 ' HH ' ' K' ' 10' ' ' TYR . 40.8 mt -138.14 133.9 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.992 0.425 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.39 118.84 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.46 138.14 30.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.348 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.63 48.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.763 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.43 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -123.95 69.35 47.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.968 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.701 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 35.4 Cg_endo -65.17 143.82 79.16 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.366 2.044 . . . . 0.0 111.912 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.442 ' H ' HG23 ' L' ' 2' ' ' THR . 8.5 m-85 -134.59 138.91 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.524 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' THR . . . . . 0.423 HG21 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.35 140.32 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.349 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.525 HD12 ' HH ' ' L' ' 10' ' ' TYR . 40.9 mt -137.96 133.68 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.3 118.78 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.757 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.51 138.18 30.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.349 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.57 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.813 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.748 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.26 121.4 14.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.4 69.66 52.77 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.944 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.666 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 32.8 Cg_endo -64.74 144.72 84.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.464 2.109 . . . . 0.0 111.871 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.484 ' H ' HG23 ' M' ' 2' ' ' THR . 8.1 m-85 -135.5 138.36 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.15 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.828 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.539 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.691 0.281 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' THR . . . . . 0.43 ' HB ' HG21 ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.23 140.35 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.434 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.513 HD12 ' HH ' ' M' ' 10' ' ' TYR . 43.1 mt -138.0 133.4 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.79 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 138.52 30.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.641 0.258 . . . . 0.0 111.422 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.73 48.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.802 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.38 14.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.3 68.76 49.56 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.971 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.666 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.72 144.21 83.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.385 2.057 . . . . 0.0 111.663 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.411 ' H ' HG23 ' N' ' 2' ' ' THR . 7.4 m-85 -134.31 138.46 44.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.124 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.503 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' THR . . . . . 0.43 HG21 ' HB ' ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.37 140.3 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.485 HD12 ' HH ' ' N' ' 10' ' ' TYR . 43.2 mt -137.86 133.35 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.34 118.66 11.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.76 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' H' ' 5' ' ' ALA . . . -142.62 138.4 30.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.359 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 136.62 47.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.834 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.686 HD23 HD21 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.26 121.44 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -124.46 68.89 51.62 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.931 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.2 Cg_endo -64.74 144.36 83.54 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.36 2.04 . . . . 0.0 111.494 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -134.04 139.16 45.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.151 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.936 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.749 0.309 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 2' ' ' THR . . . . . 0.417 HG21 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.1 140.25 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.368 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.461 HD12 ' HH ' ' O' ' 10' ' ' TYR . 45.1 mt -137.03 133.04 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.0 118.27 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.864 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' G' ' 5' ' ' ALA . . . -142.71 138.58 30.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 0.0 111.446 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.6 136.27 47.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.672 HD23 HD21 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.91 121.45 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.749 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 68.38 52.92 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.994 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 32.8 Cg_endo -63.76 143.42 86.35 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.311 2.007 . . . . 0.0 111.675 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -133.0 136.16 45.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.823 0.344 . . . . 0.0 111.574 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.97 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.704 0.288 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.73 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.379 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -138.74 133.66 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.144 0.497 . . . . 0.0 111.637 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 9' ' ' PRO . . . -141.11 119.3 12.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.744 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.84 138.96 32.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.358 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.601 HD21 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.67 136.32 47.59 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.94 121.15 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -124.06 68.26 45.8 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.629 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.3 Cg_endo -63.91 145.18 89.93 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.357 2.038 . . . . 0.0 112.23 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.6 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.69 142.01 47.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.797 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.754 0.311 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.521 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.01 140.55 38.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.341 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -138.4 134.34 43.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.366 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' B' ' 9' ' ' PRO . . . -141.38 119.61 12.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.707 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.82 138.26 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.281 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.732 HD21 HD23 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.31 136.43 48.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.801 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.699 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.65 69.31 54.48 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.718 0.294 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.629 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.7 Cg_endo -65.18 145.26 83.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.517 2.144 . . . . 0.0 112.01 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.582 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.36 142.1 47.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.432 ' H1 ' ' HD1' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.47 HG21 ' HB ' ' L' ' 2' ' ' THR . 0.2 OUTLIER -139.33 140.61 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.332 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 mt -138.87 134.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.403 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.627 ' HB1' ' HG3' ' C' ' 9' ' ' PRO . . . -141.56 119.47 11.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.671 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.693 0.282 . . . . 0.0 111.246 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.749 HD21 HD23 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.12 136.22 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.792 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.98 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -124.64 69.48 54.77 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.849 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.676 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.7 Cg_endo -65.55 145.15 81.44 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.064 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.552 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.2 m-85 -134.34 142.08 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H1 ' ' K' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.679 0.276 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.47 ' HB ' HG21 ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.57 37.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.268 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.97 135.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.989 0.423 . . . . 0.0 111.436 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.587 ' HB1' ' HG3' ' D' ' 9' ' ' PRO . . . -141.69 119.36 11.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.681 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.14 31.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.643 0.259 . . . . 0.0 111.245 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.711 HD21 HD23 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.32 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 16.5 m -124.64 68.9 53.5 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.672 0.273 . . . . 0.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.676 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.3 Cg_endo -65.11 145.21 84.21 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.424 2.083 . . . . 0.0 112.074 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.525 ' HH ' HD12 ' E' ' 3' ' ' ILE . 8.6 m-85 -134.59 141.88 46.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.406 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.718 0.294 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.484 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.46 37.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.353 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . 0.402 HG21 ' N ' ' M' ' 4' ' ' ALA . 38.9 mt -139.23 135.15 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.474 . . . . 0.0 111.41 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.58 119.35 11.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 137.88 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.627 0.251 . . . . 0.0 111.316 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.682 HD21 HD23 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.37 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.678 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 120.89 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -124.68 69.11 54.41 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.689 0.28 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.673 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.6 Cg_endo -65.31 145.43 83.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.518 2.146 . . . . 0.0 112.095 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.539 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.9 m-85 -135.08 141.84 46.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.453 ' HB ' HG21 ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.34 140.57 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.396 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . 0.408 HG21 ' N ' ' N' ' 4' ' ' ALA . 40.4 mt -139.88 135.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.547 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.567 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.66 119.49 11.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.635 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.03 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 111.276 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.684 HD21 HD23 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.5 136.3 47.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -124.38 68.97 50.95 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.665 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 31.7 Cg_endo -64.65 145.51 87.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.529 2.152 . . . . 0.0 112.085 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.503 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 9.1 m-85 -135.97 141.27 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.413 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.62 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.495 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . 0.404 HG21 ' N ' ' O' ' 4' ' ' ALA . 42.0 mt -140.48 134.84 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.079 0.466 . . . . 0.0 111.568 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.38 119.39 11.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.643 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.75 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 111.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.686 HD21 HD23 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.43 136.47 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 120.83 13.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -124.31 68.81 49.87 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.679 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 32.5 Cg_endo -64.84 145.45 86.11 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.53 2.153 . . . . 0.0 112.204 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.461 ' HH ' HD12 ' H' ' 3' ' ' ILE . 9.4 m-85 -135.85 141.98 44.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.81 0.338 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 140.55 38.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.343 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . 0.403 HG21 ' N ' ' P' ' 4' ' ' ALA . 39.0 mt -139.95 134.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.43 119.74 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.683 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.28 32.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.627 0.251 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.672 HD21 HD23 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.52 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.62 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.659 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.18 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.772 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -124.89 70.59 59.64 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.679 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.1 Cg_endo -66.41 144.98 75.76 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.564 2.176 . . . . 0.0 112.208 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -136.27 141.66 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.87 0.367 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.7 mt -138.54 133.97 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.2 118.96 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.38 136.04 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -130.08 136.23 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.792 0.33 . . . . 0.0 110.516 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.35 121.41 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -122.54 71.22 37.32 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -66.15 142.48 67.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.507 2.138 . . . . 0.0 112.036 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' N ' HG22 ' I' ' 2' ' ' THR . 8.7 m-85 -135.25 141.14 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.549 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.731 0.301 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.414 HG23 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.29 140.37 37.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.297 -179.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.42 134.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.27 118.79 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.877 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.51 136.29 29.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.695 0.283 . . . . 0.0 111.308 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.04 136.17 48.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.874 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.36 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.873 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -122.24 70.22 31.95 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.698 ' HG3' ' HB3' ' J' ' 4' ' ' ALA . 28.7 Cg_endo -63.71 145.31 90.97 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.194 1.929 . . . . 0.0 111.949 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.586 ' N ' HG22 ' J' ' 2' ' ' THR . 7.6 m-85 -137.45 139.5 40.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.029 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.59 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.704 0.288 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.35 37.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 39.2 mt -137.19 134.47 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.593 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.714 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.68 136.02 28.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.12 136.12 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.723 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.57 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -122.56 70.3 35.44 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.689 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 29.3 Cg_endo -63.91 145.26 90.01 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.315 2.01 . . . . 0.0 111.949 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.548 ' N ' HG22 ' K' ' 2' ' ' THR . 7.4 m-85 -136.77 139.43 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.835 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.009 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' THR . . . . . 0.416 ' HB ' HG23 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.06 37.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.15 134.26 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.35 118.72 11.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 136.41 29.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.307 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.6 OUTLIER -131.28 136.38 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.641 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.52 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -122.69 70.09 36.32 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 110.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.649 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 31.0 Cg_endo -64.16 145.22 88.8 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.367 2.045 . . . . 0.0 111.85 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.574 ' H ' HG22 ' L' ' 2' ' ' THR . 7.4 m-85 -136.36 138.87 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.815 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.767 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' THR . . . . . 0.416 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.47 140.11 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.195 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.88 134.29 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.556 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.78 136.58 28.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.558 0.218 . . . . 0.0 111.339 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.46 136.21 47.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.652 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.59 14.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.06 69.83 39.46 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.686 0.279 . . . . 0.0 111.01 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.686 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 30.3 Cg_endo -63.93 144.83 89.13 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.378 2.052 . . . . 0.0 111.879 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.558 ' H ' HG22 ' M' ' 2' ' ' THR . 7.2 m-85 -135.72 138.0 42.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.106 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.813 0.34 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' THR . . . . . 0.433 ' HB ' HG23 ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.36 37.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.29 133.92 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.36 118.43 11.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.746 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' G' ' 5' ' ' ALA . . . -142.75 136.26 28.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.374 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.6 OUTLIER -131.17 136.11 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.673 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 121.53 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -123.02 69.34 37.79 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.686 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 29.8 Cg_endo -63.66 144.74 90.29 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.413 2.075 . . . . 0.0 111.761 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.517 ' H ' HG22 ' N' ' 2' ' ' THR . 6.6 m-85 -135.31 137.44 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.059 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.463 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.736 0.303 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' THR . . . . . 0.433 HG23 ' HB ' ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.4 140.15 37.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.435 HD13 ' CE1' ' O' ' 10' ' ' TYR . 47.5 mt -136.91 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.42 118.45 11.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.758 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' F' ' 5' ' ' ALA . . . -142.78 136.21 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.44 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 0.6 OUTLIER -131.3 136.28 48.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.723 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.859 ' HB3' HD11 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.46 14.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.85 69.48 36.45 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.985 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' H' ' 9' ' ' PRO . 31.1 Cg_endo -64.07 143.96 85.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.401 2.067 . . . . 0.0 111.671 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.464 ' H ' HG22 ' O' ' 2' ' ' THR . 6.5 m-85 -134.12 137.96 44.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.065 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.732 0.301 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.28 37.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' P' ' 10' ' ' TYR . 49.7 mt -136.58 133.57 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.049 0.452 . . . . 0.0 111.269 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.17 118.15 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.805 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.86 136.1 28.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.488 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.31 135.9 47.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.14 121.48 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -123.41 69.2 41.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.859 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.68 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.0 Cg_endo -63.71 143.09 85.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.413 2.075 . . . . 0.0 111.541 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . 0.441 ' H ' HG22 ' P' ' 2' ' ' THR . 6.1 m-85 -132.98 134.62 44.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.578 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.561 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.68 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.93 133.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.183 0.516 . . . . 0.0 111.63 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.577 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -141.14 119.2 11.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.616 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 137.41 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.324 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.587 HD23 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.49 135.92 47.48 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.005 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.06 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -122.96 68.82 35.87 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.68 0.276 . . . . 0.0 110.974 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.739 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.0 Cg_endo -64.11 144.7 87.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.421 2.081 . . . . 0.0 112.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.549 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.22 142.39 48.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.765 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.586 HG22 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.14 140.49 37.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -138.38 134.18 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.429 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.698 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -141.58 119.22 11.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.546 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 137.0 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.664 0.268 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.618 HD23 HD23 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.46 48.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.865 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.852 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.97 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.656 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -122.69 69.92 35.86 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.635 0.255 . . . . 0.0 110.835 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.739 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.0 Cg_endo -64.9 145.11 85.15 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.476 2.117 . . . . 0.0 112.14 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.59 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.91 141.4 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.856 0.36 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.548 HG22 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.5 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mt -138.37 135.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.446 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.53 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.12 30.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.667 0.27 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.606 HD23 HD23 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -130.98 136.18 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.06 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m -123.07 69.65 39.14 Favored Pre-proline 0 CA--C 1.528 0.097 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.68 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 31.7 Cg_endo -64.95 145.34 85.39 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.495 2.13 . . . . 0.0 112.108 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.8 m-85 -135.07 141.7 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.574 HG22 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.42 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.52 135.17 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.608 ' HB3' ' HG3' ' D' ' 9' ' ' PRO . . . -141.43 119.31 11.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.606 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 135.81 29.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.571 0.224 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.6 HD23 HD23 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.02 136.08 48.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.783 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 121.12 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.844 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 67.3 m -123.09 69.36 38.52 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.624 0.25 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.2 Cg_endo -64.23 145.34 88.65 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.578 2.185 . . . . 0.0 112.256 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.9 m-85 -135.45 140.82 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.518 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 5.2 t . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.558 HG22 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.43 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.85 135.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.338 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' E' ' 9' ' ' PRO . . . -141.47 119.48 11.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.552 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 136.23 29.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.607 HD23 HD23 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.22 136.05 47.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.79 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.766 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 121.03 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.698 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -123.08 69.55 38.92 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.674 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 32.4 Cg_endo -64.76 145.31 86.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.189 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.9 m-85 -135.34 140.71 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.6 t . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.517 HG22 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.51 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.341 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -139.54 135.69 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.098 0.475 . . . . 0.0 111.451 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.75 119.29 11.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.711 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 135.94 29.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.561 HD23 HD23 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.1 135.7 47.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.72 120.93 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.669 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -123.17 69.32 39.3 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.727 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 29.6 Cg_endo -64.3 145.38 88.41 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.486 2.124 . . . . 0.0 112.201 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.74 141.07 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.464 HG22 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.61 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.527 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.91 135.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.084 0.469 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.6 119.07 11.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.591 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 135.61 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 111.298 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.554 HD23 HD23 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.28 136.05 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.628 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.792 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 120.83 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.94 69.64 37.72 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 120.712 0.291 . . . . 0.0 110.732 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.727 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 31.0 Cg_endo -64.43 145.55 88.09 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.534 2.156 . . . . 0.0 112.204 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.435 ' CE1' HD13 ' G' ' 3' ' ' ILE . 8.4 m-85 -136.1 141.11 44.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.753 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.967 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.66 37.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.301 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.57 135.78 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.35 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.41 119.33 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.19 134.33 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.387 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.593 HD23 HD23 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -129.71 136.21 49.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.667 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.25 14.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.54 71.46 48.14 Favored Pre-proline 0 N--CA 1.456 -0.173 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.8 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.697 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.9 Cg_endo -66.43 145.05 75.88 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.549 2.166 . . . . 0.0 112.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD13 ' H' ' 3' ' ' ILE . 9.6 m-85 -136.74 140.98 43.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.11 37.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.231 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.69 HG22 ' HG ' ' I' ' 8' ' ' SER . 39.0 mt -138.83 134.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.03 119.07 11.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 135.6 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -129.25 136.38 50.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.18 121.46 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.8 70.52 38.48 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.999 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.604 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -65.92 142.83 70.55 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.533 2.155 . . . . 0.0 111.972 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.18 141.25 45.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 35.6 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.558 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.765 0.317 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.583 HG22 ' HG ' ' J' ' 8' ' ' SER . 38.5 mt -138.02 135.32 45.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.32 118.86 11.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.805 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.54 137.15 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.33 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -131.27 136.42 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.687 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.2 121.16 14.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.4 70.56 34.35 Favored Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.86 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.694 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.5 Cg_endo -64.51 145.24 87.21 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.244 1.962 . . . . 0.0 111.812 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -136.67 138.49 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.623 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 32.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.567 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.732 0.301 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.1 37.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.29 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.624 HG22 ' HG ' ' K' ' 8' ' ' SER . 44.4 mt -137.78 134.95 45.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.33 118.68 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.72 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.53 137.01 29.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.652 0.263 . . . . 0.0 111.351 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -131.32 136.48 48.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.691 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.16 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.56 70.21 35.23 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.694 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 33.3 Cg_endo -64.92 145.11 85.02 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.294 1.996 . . . . 0.0 111.949 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -136.05 138.36 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 33.8 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.24 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.299 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.609 HG22 ' HG ' ' L' ' 8' ' ' SER . 44.8 mt -137.95 134.73 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.984 0.421 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.09 118.45 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.66 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 136.8 29.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.389 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.766 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.47 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.21 70.06 41.54 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.681 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 32.4 Cg_endo -64.75 144.31 83.32 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.347 2.031 . . . . 0.0 111.875 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.62 138.06 44.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.937 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.667 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 32.2 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.489 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.741 0.305 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.17 37.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.641 HG22 ' HG ' ' M' ' 8' ' ' SER . 48.6 mt -137.83 134.76 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.26 118.72 11.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' M' ' 6' ' ' LEU . . . -142.83 136.47 28.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.659 0.266 . . . . 0.0 111.391 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 0.5 OUTLIER -131.09 136.48 48.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.803 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.4 14.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.98 69.78 38.53 Favored Pre-proline 0 CA--C 1.529 0.146 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.016 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.681 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.3 Cg_endo -64.79 144.79 84.71 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.381 2.054 . . . . 0.0 111.806 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.35 136.88 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.667 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 31.9 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.462 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.22 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.252 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.61 HG22 ' HG ' ' N' ' 8' ' ' SER . 45.7 mt -137.69 134.89 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.46 118.56 11.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.762 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.427 ' HB2' HD22 ' N' ' 6' ' ' LEU . . . -142.83 136.78 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.371 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.85 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.696 HD23 HD22 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -140.37 121.41 14.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.771 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.71 69.43 34.91 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.974 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 34.7 Cg_endo -64.55 144.94 86.37 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.291 1.994 . . . . 0.0 111.7 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.42 136.86 41.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.606 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 27.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.899 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.744 0.307 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.18 37.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.546 HG22 ' HG ' ' O' ' 8' ' ' SER . 46.2 mt -137.49 134.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.24 118.31 11.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.459 ' HB2' HD22 ' O' ' 6' ' ' LEU . . . -142.73 136.98 29.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' H' ' 6' ' ' LEU . 0.5 OUTLIER -131.35 136.42 48.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.666 HD23 HD22 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.38 121.44 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.739 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.22 69.73 40.8 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.4 Cg_endo -65.18 144.82 82.7 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.306 2.004 . . . . 0.0 111.678 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -134.49 137.64 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.159 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.606 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 22.9 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.848 0.356 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.2 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.485 HD13 ' HG ' ' P' ' 8' ' ' SER . 51.8 mt -136.85 133.98 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 111.216 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.08 118.14 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.838 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' P' ' 6' ' ' LEU . . . -142.96 137.18 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.524 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.425 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.63 136.06 47.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.652 HD23 HD22 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.78 121.42 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.64 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 68.96 41.79 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.57 ' HB2' HG21 ' O' ' 2' ' ' THR . 34.8 Cg_endo -64.27 142.31 79.09 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.401 2.067 . . . . 0.0 111.569 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -131.6 135.71 47.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.785 0.326 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.574 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 22.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.841 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.453 HG22 ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.67 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.43 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -139.13 134.62 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.93 119.02 11.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.729 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.85 137.52 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.221 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.596 HD22 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.55 136.2 47.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.954 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.06 13.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.69 ' HG ' HG22 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -122.93 69.43 37.09 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-O 120.642 0.258 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.655 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.9 Cg_endo -65.1 144.67 82.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.407 2.071 . . . . 0.0 112.147 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.9 m-85 -133.28 141.54 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.746 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 23.2 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.838 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.771 0.32 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.38 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . 0.404 HG21 ' N ' ' J' ' 4' ' ' ALA . 46.1 mt -139.06 135.25 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 111.351 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.54 119.09 11.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.585 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -141.86 137.56 31.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.646 0.26 . . . . 0.0 111.202 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.664 HD22 HD23 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.41 136.71 48.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.661 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.04 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.583 ' HG ' HG22 ' B' ' 3' ' ' ILE . 0.1 OUTLIER -123.14 69.67 39.86 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.596 0.236 . . . . 0.0 110.953 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.655 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.2 Cg_endo -65.46 145.12 81.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.435 2.09 . . . . 0.0 112.042 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.567 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 8.0 m-85 -134.11 141.73 47.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.746 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 24.3 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.796 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.44 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . 0.415 HG21 ' N ' ' K' ' 4' ' ' ALA . 45.5 mt -139.0 135.83 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.5 12.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.674 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.04 137.15 30.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.634 0.254 . . . . 0.0 111.156 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.653 HD22 HD23 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.39 136.36 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.812 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 121.03 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.624 ' HG ' HG22 ' C' ' 3' ' ' ILE . 0.1 OUTLIER -123.18 69.42 39.62 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-O 120.664 0.269 . . . . 0.0 110.96 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.632 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 33.6 Cg_endo -64.9 145.12 85.13 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.522 2.148 . . . . 0.0 112.035 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.0 m-85 -134.63 140.9 46.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.013 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.729 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 22.7 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.789 0.328 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.55 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.423 HG21 ' N ' ' L' ' 4' ' ' ALA . 48.1 mt -139.3 135.79 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 111.363 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.44 119.25 11.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.582 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.7 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.666 HD22 HD23 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.26 136.1 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.804 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.6 120.92 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.609 ' HG ' HG22 ' D' ' 3' ' ' ILE . 0.2 OUTLIER -123.44 69.76 43.12 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-O 120.701 0.286 . . . . 0.0 110.905 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.685 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.0 Cg_endo -65.64 145.21 81.05 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.434 2.089 . . . . 0.0 112.092 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.489 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.1 m-85 -134.13 141.53 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.696 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 29.7 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.411 HG21 ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.72 140.54 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.341 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . 0.424 HG21 ' N ' ' M' ' 4' ' ' ALA . 46.5 mt -139.89 135.68 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.055 0.455 . . . . 0.0 111.303 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.55 119.41 11.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.691 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.03 137.34 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.583 0.23 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.664 HD22 HD23 ' E' ' 7' ' ' LEU . 0.4 OUTLIER -131.52 136.14 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.865 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.98 13.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.664 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.641 ' HG ' HG22 ' E' ' 3' ' ' ILE . 0.2 OUTLIER -123.7 69.28 44.59 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.934 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.685 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.0 Cg_endo -64.94 145.38 85.52 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.549 2.166 . . . . 0.0 112.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.462 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.1 m-85 -134.84 140.15 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.696 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 30.3 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.795 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.695 0.283 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.459 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.51 140.31 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . 0.422 HG21 ' N ' ' N' ' 4' ' ' ALA . 49.6 mt -139.9 135.57 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.053 0.454 . . . . 0.0 111.508 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.55 119.32 11.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.706 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.82 137.37 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 0.0 111.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.696 HD22 HD23 ' F' ' 7' ' ' LEU . 0.4 OUTLIER -131.58 136.26 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.87 120.79 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.61 ' HG ' HG22 ' F' ' 3' ' ' ILE . 0.2 OUTLIER -123.13 68.82 37.62 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.857 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.714 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.0 Cg_endo -64.83 145.45 86.14 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.1 m-85 -135.38 140.58 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 33.6 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.57 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.43 140.72 37.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.573 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . 0.423 HG21 ' N ' ' O' ' 4' ' ' ALA . 52.1 mt -141.1 135.31 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.579 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.557 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.742 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.0 30.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.7 0.285 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.666 HD22 HD23 ' G' ' 7' ' ' LEU . 0.4 OUTLIER -131.25 136.25 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.57 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 120.69 13.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.546 ' HG ' HG22 ' G' ' 3' ' ' ILE . 0.2 OUTLIER -123.06 69.07 37.51 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-O 120.672 0.272 . . . . 0.0 110.743 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.715 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.87 145.31 85.67 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.45 2.1 . . . . 0.0 112.207 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.8 m-85 -135.16 140.99 45.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 34.1 t . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.79 37.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . 0.439 HG21 ' N ' ' P' ' 4' ' ' ALA . 47.0 mt -140.26 136.3 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.283 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.33 119.4 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.13 135.85 29.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.627 0.251 . . . . 0.0 111.287 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.652 HD22 HD23 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -129.7 136.29 49.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.88 121.14 14.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.485 ' HG ' HD13 ' H' ' 3' ' ' ILE . 0.2 OUTLIER -124.19 71.55 54.66 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-O 120.839 0.352 . . . . 0.0 110.683 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.715 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.3 Cg_endo -67.31 144.39 67.96 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.439 2.092 . . . . 0.0 112.274 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . 0.434 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.1 m-85 -134.95 140.44 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.689 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 36.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.66 140.2 38.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.01 135.64 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.01 118.92 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.33 138.45 31.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER -131.2 136.5 48.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.985 0.422 . . . . 0.0 110.595 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.01 121.45 16.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.0 70.65 67.88 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.79 0.329 . . . . 0.0 111.406 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.23 140.96 60.89 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 111.361 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -131.6 151.65 51.44 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.873 0.368 . . . . 0.0 111.647 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.513 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.444 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.735 0.302 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.33 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.551 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.418 HD11 ' OH ' ' I' ' 10' ' ' TYR . 53.1 mt -138.45 136.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.91 118.63 11.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.761 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.483 ' HB2' HD22 ' J' ' 6' ' ' LEU . . . -142.56 138.15 30.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.408 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.21 136.64 48.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.786 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.797 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.14 14.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.559 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -125.88 70.38 66.56 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.564 0.221 . . . . 0.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.18 144.59 81.85 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.247 1.965 . . . . 0.0 111.308 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -133.99 149.58 51.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.882 0.373 . . . . 0.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.285 179.468 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.42 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.4 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.508 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' K' ' 10' ' ' TYR . 50.8 mt -138.23 136.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.0 118.53 11.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.899 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' K' ' 6' ' ' LEU . . . -142.5 138.23 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.62 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.875 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.13 121.4 14.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.33 69.68 68.69 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-O 120.609 0.243 . . . . 0.0 111.369 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.582 ' HG3' ' HB3' ' K' ' 4' ' ' ALA . 35.7 Cg_endo -65.04 143.56 79.08 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.302 2.002 . . . . 0.0 111.286 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.664 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.177 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.413 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.27 37.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.412 HD13 ' CE1' ' L' ' 10' ' ' TYR . 53.4 mt -138.15 135.87 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.0 118.55 11.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' L' ' 6' ' ' LEU . . . -142.64 137.99 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.73 136.74 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.12 121.42 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.531 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.11 69.51 66.8 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.664 0.268 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.579 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 37.0 Cg_endo -65.5 142.86 73.47 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.399 2.066 . . . . 0.0 111.258 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.99 149.37 52.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.654 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.097 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.435 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.742 0.306 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.28 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' M' ' 10' ' ' TYR . 52.3 mt -137.92 135.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -140.95 118.62 11.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.777 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.568 ' HB2' HD22 ' M' ' 6' ' ' LEU . . . -142.61 137.87 30.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.227 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.44 14.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.37 69.57 68.85 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.441 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.579 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.1 Cg_endo -65.73 143.67 75.01 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.228 1.952 . . . . 0.0 111.219 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -131.38 147.96 52.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 111.553 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.094 179.765 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.451 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.332 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.34 37.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.408 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.435 HD13 ' CE1' ' N' ' 10' ' ' TYR . 54.6 mt -138.13 135.81 44.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.144 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.1 118.52 11.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.583 ' HB2' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.09 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.53 136.48 47.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.917 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.4 14.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.38 69.5 68.76 Favored Pre-proline 0 C--N 1.332 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 38.4 Cg_endo -66.0 143.4 72.22 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.296 1.997 . . . . 0.0 111.17 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.84 148.01 52.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.554 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.412 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 5.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.058 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.431 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.06 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' O' ' 10' ' ' TYR . 52.0 mt -137.82 135.52 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.12 118.45 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.624 ' HB2' HD22 ' O' ' 6' ' ' LEU . . . -142.59 138.17 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 136.44 47.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.917 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.28 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.583 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.23 69.12 67.09 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.597 0.237 . . . . 0.0 111.225 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.537 ' HB2' HG23 ' N' ' 2' ' ' THR . 39.5 Cg_endo -66.13 141.72 64.67 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.235 1.957 . . . . 0.0 111.128 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.48 149.47 50.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 111.591 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 5.0 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.394 -0.813 . . . . 0.0 111.052 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.41 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.716 0.293 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.08 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.342 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.407 HD13 ' HB3' ' P' ' 8' ' ' SER . 52.3 mt -137.67 134.98 46.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.497 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.38 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.647 ' HB2' HD22 ' P' ' 6' ' ' LEU . . . -142.74 138.22 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.14 47.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 121.27 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.23 67.96 64.64 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.636 ' HB2' HG23 ' O' ' 2' ' ' THR . 39.6 Cg_endo -65.7 139.71 58.96 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.273 1.982 . . . . 0.0 111.18 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -125.53 150.75 47.15 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 111.891 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 4.5 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.197 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.75 37.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -138.74 135.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -140.76 119.14 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.17 138.58 31.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.236 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.43 136.02 47.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.01 121.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.138 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.15 69.63 67.33 Favored Pre-proline 0 C--O 1.233 0.193 0 CA-C-O 120.666 0.27 . . . . 0.0 111.257 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 35.7 Cg_endo -65.29 143.36 76.72 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.291 1.994 . . . . 0.0 111.754 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.444 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 6.6 m-85 -128.9 152.02 49.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.474 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 5.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.73 0.3 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.49 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -138.63 136.83 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.271 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.562 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -141.17 119.08 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 138.5 31.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.58 0.229 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.483 HD22 ' HB2' ' B' ' 5' ' ' ALA . 0.7 OUTLIER -131.57 136.51 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.963 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD13 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.19 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.265 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -126.96 70.36 74.18 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.695 0.284 . . . . 0.0 111.327 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.4 Cg_endo -66.46 144.06 71.88 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.304 2.002 . . . . 0.0 111.679 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.42 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.3 m-85 -129.74 150.72 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.477 ' HA ' ' HB2' ' K' ' 11' ' ' SER . 6.2 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.673 0.273 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.59 37.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 111.436 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt -139.37 137.03 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.455 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -141.24 119.14 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.642 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.25 138.22 31.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.629 0.252 . . . . 0.0 111.051 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' C' ' 5' ' ' ALA . 0.7 OUTLIER -131.62 136.6 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.788 0.328 . . . . 0.0 111.051 179.725 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.45 121.13 14.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 69.45 68.73 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.592 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.2 Cg_endo -65.53 144.57 79.61 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.412 2.075 . . . . 0.0 111.749 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.418 ' CE1' HD13 ' C' ' 3' ' ' ILE . 6.2 m-85 -131.29 149.5 52.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.331 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 8.8 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.853 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.757 0.313 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.88 140.46 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.493 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -139.6 137.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.287 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.548 ' HB3' ' HG3' ' D' ' 9' ' ' PRO . . . -141.47 118.93 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.24 137.8 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' D' ' 5' ' ' ALA . 0.7 OUTLIER -131.36 136.7 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.728 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.06 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.278 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.6 69.54 70.48 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-O 120.642 0.258 . . . . 0.0 111.186 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.566 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.74 144.9 79.55 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.372 2.048 . . . . 0.0 111.821 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.435 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 6.5 m-85 -131.64 149.99 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 11.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.027 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.841 0.353 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.46 HG23 ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.54 37.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.48 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 56.7 mt -140.35 137.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 111.337 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.46 119.1 11.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.759 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 138.03 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.59 0.234 . . . . 0.0 111.135 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' E' ' 5' ' ' ALA . 0.7 OUTLIER -131.32 136.39 48.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.55 121.04 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.338 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -126.32 68.89 67.4 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.588 0.233 . . . . 0.0 111.286 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.566 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.5 Cg_endo -64.92 145.21 85.22 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.323 2.016 . . . . 0.0 111.882 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 6.4 m-85 -132.62 148.83 52.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.704 0.288 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.537 HG23 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.1 140.54 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 111.612 -179.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 58.9 mt -141.14 136.46 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.5 119.41 11.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.701 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.26 31.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.638 0.256 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.583 HD22 ' HB2' ' F' ' 5' ' ' ALA . 0.6 OUTLIER -131.42 136.39 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.982 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.717 HD13 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.9 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.355 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.17 69.19 66.75 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.59 0.234 . . . . 0.0 111.368 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.613 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.4 Cg_endo -65.51 145.04 81.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.306 2.004 . . . . 0.0 111.664 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.435 ' CE1' HD13 ' F' ' 3' ' ' ILE . 6.5 m-85 -132.74 149.07 52.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 111.157 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 11.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.636 HG23 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -137.26 140.88 41.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.674 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -142.64 135.53 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.355 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.648 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.12 138.15 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.536 0.208 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.624 HD22 ' HB2' ' G' ' 5' ' ' ALA . 0.7 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.066 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.68 120.94 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.35 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.26 69.25 67.55 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 111.188 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 34.7 Cg_endo -65.47 145.12 81.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.384 2.056 . . . . 0.0 111.813 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' G' ' 3' ' ' ILE . 6.9 m-85 -132.8 148.45 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' P' ' 11' ' ' SER . 14.0 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -0.802 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.62 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.486 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 53.7 mt -139.86 137.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.91 119.17 12.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.643 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.2 31.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.594 0.235 . . . . 0.0 111.286 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.647 HD22 ' HB2' ' H' ' 5' ' ' ALA . 0.7 OUTLIER -131.36 136.71 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.964 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.744 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.98 121.12 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.504 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.407 ' HB3' HD13 ' H' ' 3' ' ' ILE . 1.5 m -126.89 70.91 74.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.8 Cg_endo -67.34 144.02 66.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.51 2.14 . . . . 0.0 111.798 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.53 147.15 52.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 17.1 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.03 140.4 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.309 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mt -139.77 135.59 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.81 119.01 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.45 31.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.45 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.677 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.718 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.78 121.41 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.694 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -127.07 70.61 75.04 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -65.82 142.58 70.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.485 2.123 . . . . 0.0 111.428 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.401 ' N ' HG23 ' I' ' 2' ' ' THR . 5.6 m-85 -133.43 151.57 51.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.882 0.372 . . . . 0.0 111.628 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.767 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.497 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.463 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.43 37.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.554 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mt -138.8 136.41 43.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.297 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.19 118.79 11.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.457 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.51 138.21 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.179 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.83 48.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.799 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.91 121.19 14.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.0 m -126.98 70.24 74.19 Favored Pre-proline 0 N--CA 1.456 -0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.381 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -64.67 144.7 85.04 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.363 2.042 . . . . 0.0 111.26 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -134.26 149.77 50.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 111.491 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.767 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.385 -0.816 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.474 ' HD1' ' H1 ' ' D' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.27 37.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.437 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.402 HD12 HG22 ' C' ' 3' ' ' ILE . 48.1 mt -138.3 135.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.58 11.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.683 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.21 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.46 136.78 48.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.34 14.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.533 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -127.25 70.35 75.37 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-O 120.658 0.266 . . . . 0.0 111.36 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.7 Cg_endo -65.55 143.12 74.13 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.267 1.978 . . . . 0.0 111.284 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.875 0.369 . . . . 0.0 111.553 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.165 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.474 ' H1 ' ' HD1' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.648 0.261 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.52 140.33 37.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.307 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -138.54 135.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.14 118.62 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.491 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.57 138.23 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.36 136.82 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.46 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.653 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -127.38 69.63 75.0 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.673 0.273 . . . . 0.0 111.522 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.2 Cg_endo -65.33 142.94 74.94 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.324 2.016 . . . . 0.0 111.311 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -131.4 148.94 52.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.557 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.713 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.208 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.482 ' HD1' ' H1 ' ' F' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.2 37.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.47 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.413 HD12 HG22 ' E' ' 3' ' ' ILE . 49.0 mt -138.37 135.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.4 118.62 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.684 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.545 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.64 138.33 30.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' F' ' 6' ' ' LEU . 0.7 OUTLIER -131.44 136.77 48.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.3 121.36 14.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -127.37 69.7 75.02 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-O 120.61 0.243 . . . . 0.0 111.358 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.511 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.56 142.77 72.7 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.341 2.028 . . . . 0.0 111.293 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.89 148.75 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.712 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.047 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.482 ' H1 ' ' HD1' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.4 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.419 HD13 ' CE1' ' N' ' 10' ' ' TYR . 55.4 mt -138.76 135.56 43.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.273 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.24 118.58 11.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.772 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.542 ' HB3' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.37 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' HG ' ' E' ' 6' ' ' LEU . 0.7 OUTLIER -131.4 136.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.978 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.17 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.01 69.46 73.42 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.583 0.23 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.0 Cg_endo -65.92 141.61 65.49 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.359 2.039 . . . . 0.0 111.202 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.18 150.03 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.446 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.092 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.422 ' HD1' ' H1 ' ' H' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.719 0.295 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.31 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.44 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' O' ' 10' ' ' TYR . 56.8 mt -138.69 135.24 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.14 118.44 11.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.634 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.595 ' HB3' HD22 ' O' ' 6' ' ' LEU . . . -142.58 138.59 30.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.93 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.875 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.18 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -127.61 69.49 75.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.664 0.269 . . . . 0.0 111.227 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.492 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.0 Cg_endo -66.31 142.18 65.37 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.278 1.985 . . . . 0.0 111.119 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -129.18 149.36 51.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.534 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.422 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.12 37.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -138.03 134.76 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.065 0.46 . . . . 0.0 111.229 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.87 118.32 11.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.906 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.653 ' HB3' HD22 ' P' ' 6' ' ' LEU . . . -142.89 138.71 30.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.47 136.43 47.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.25 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.375 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -127.35 68.31 72.93 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.525 0.202 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.5 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 39.7 Cg_endo -65.4 139.94 61.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.36 2.04 . . . . 0.0 111.141 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.28 151.13 47.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.823 0.344 . . . . 0.0 111.769 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.072 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.814 0.34 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.59 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.409 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -138.57 136.1 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.12 0.486 . . . . 0.0 111.494 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 118.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.762 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.28 138.62 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.53 136.2 47.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.172 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.739 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.95 121.14 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.195 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.48 68.91 74.5 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-O 120.584 0.23 . . . . 0.0 111.212 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.8 Cg_endo -64.58 143.04 80.19 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.336 2.024 . . . . 0.0 111.834 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.463 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 5.8 m-85 -128.68 152.27 48.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 111.339 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.627 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.01 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.336 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -139.11 136.66 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.378 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.27 119.11 11.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.616 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.08 138.65 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.511 HD22 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.63 136.74 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.13 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD13 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 121.19 14.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.374 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -127.67 69.4 75.84 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.637 0.256 . . . . 0.0 111.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.61 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.3 Cg_endo -65.23 144.03 79.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.293 1.996 . . . . 0.0 111.782 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.466 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.5 150.87 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 111.283 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.726 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.425 ' H1 ' ' HD1' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 140.65 36.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.407 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.5 mt -139.47 137.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.351 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.48 119.07 11.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.6 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.602 0.239 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.521 HD22 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.58 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.727 HD13 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.61 120.97 13.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -127.83 69.48 76.55 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.662 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.9 Cg_endo -65.25 144.73 81.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.355 2.037 . . . . 0.0 111.751 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.55 150.04 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.237 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.726 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.036 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.425 ' HD1' ' H1 ' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.767 0.317 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 140.65 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.361 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.08 136.83 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.399 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.41 119.15 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 138.76 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.595 0.236 . . . . 0.0 111.073 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.514 HD22 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.61 136.71 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.53 121.09 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -127.87 69.19 76.39 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.672 0.272 . . . . 0.0 111.31 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.662 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 36.0 Cg_endo -65.15 145.16 83.83 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.387 2.058 . . . . 0.0 111.809 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -132.33 149.36 52.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.385 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.749 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.47 37.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.533 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -140.81 136.46 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.429 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.482 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.669 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.77 31.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.619 0.247 . . . . 0.0 111.13 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.5 136.65 48.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.978 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.718 ' HB3' HD13 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.67 120.88 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -127.65 69.64 76.01 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.628 0.251 . . . . 0.0 111.298 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.607 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 35.0 Cg_endo -65.11 145.12 83.99 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.328 2.019 . . . . 0.0 111.797 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.43 149.73 52.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.143 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.749 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.44 140.62 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.415 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.61 136.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.4 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.52 119.27 11.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.712 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.27 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.589 0.233 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.569 HD22 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.49 136.54 48.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 111.009 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD13 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 120.83 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.304 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -127.9 69.69 77.01 Favored Pre-proline 0 C--O 1.233 0.19 0 CA-C-O 120.605 0.24 . . . . 0.0 111.182 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.5 Cg_endo -65.46 145.19 82.08 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.369 2.046 . . . . 0.0 111.69 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' F' ' 3' ' ' ILE . 5.7 m-85 -132.7 148.99 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.749 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.477 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.5 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.32 140.94 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -142.59 135.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.155 0.503 . . . . 0.0 111.447 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.48 119.4 11.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.52 31.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.643 0.259 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' G' ' 5' ' ' ALA . 0.6 OUTLIER -131.44 136.49 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.94 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.337 179.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -127.87 69.21 76.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.621 0.248 . . . . 0.0 111.277 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.639 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.8 Cg_endo -65.2 145.12 83.46 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.309 2.006 . . . . 0.0 111.727 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD13 ' G' ' 3' ' ' ILE . 6.2 m-85 -133.11 148.68 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.778 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.477 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.39 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.309 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 52.5 mt -139.51 137.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.211 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.09 119.15 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.642 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.72 31.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.558 0.218 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' H' ' 5' ' ' ALA . 0.6 OUTLIER -131.4 136.9 48.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.03 121.28 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -128.34 71.23 79.82 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.705 0.288 . . . . 0.0 111.347 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.639 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -67.53 144.29 66.26 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.415 2.077 . . . . 0.0 111.813 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -133.17 147.82 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.778 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.789 0.328 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.3 38.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.351 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 ' HB2' ' I' ' 8' ' ' SER . 43.3 mt -138.69 135.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.86 118.9 11.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.937 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.19 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.42 136.48 49.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.08 121.61 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.76 -179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.72 70.89 66.32 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.301 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.5 Cg_endo -66.43 142.53 65.97 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.538 2.158 . . . . 0.0 111.447 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -133.67 151.03 51.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.752 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.576 179.4 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.299 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.513 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' J' ' 8' ' ' SER . 45.8 mt -138.33 136.18 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -140.9 118.61 11.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.819 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.49 ' HB1' HD22 ' J' ' 6' ' ' LEU . . . -142.6 137.7 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.48 48.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.675 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.08 121.44 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -125.61 70.62 65.09 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-O 120.61 0.243 . . . . 0.0 111.372 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 36.4 Cg_endo -65.23 143.98 79.35 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.296 1.997 . . . . 0.0 111.264 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.59 149.6 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.666 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.286 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.715 0.293 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.26 37.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.503 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' K' ' 8' ' ' SER . 42.3 mt -137.57 136.06 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.09 118.55 11.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.778 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.478 ' HB1' HD22 ' K' ' 6' ' ' LEU . . . -142.65 137.75 30.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.166 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.2 136.41 48.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.803 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.39 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.61 70.38 64.67 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.573 0.225 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.6 Cg_endo -65.11 144.34 81.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.152 1.901 . . . . 0.0 111.336 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -133.34 147.96 51.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 111.618 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.465 -0.779 . . . . 0.0 111.211 179.707 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.471 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.42 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.431 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' L' ' 8' ' ' SER . 47.3 mt -137.84 136.34 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.13 118.4 11.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.882 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.538 ' HB1' HD22 ' L' ' 6' ' ' LEU . . . -142.89 137.15 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.282 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.51 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.798 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.716 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.44 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.52 69.37 62.15 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.427 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.0 Cg_endo -64.85 144.29 82.74 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.302 2.001 . . . . 0.0 111.171 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -132.84 148.58 52.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 111.542 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.149 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.715 0.293 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.26 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.535 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.7 mt -137.74 135.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.23 118.36 11.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' M' ' 6' ' ' LEU . . . -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.1 121.32 14.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -125.79 69.14 63.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.597 0.237 . . . . 0.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.492 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.2 Cg_endo -65.02 143.41 78.69 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.339 2.026 . . . . 0.0 111.132 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.25 148.88 52.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.645 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 19.9 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.033 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.629 0.252 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.32 37.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' N' ' 8' ' ' SER . 52.6 mt -137.15 135.75 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.18 118.24 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.802 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' N' ' 6' ' ' LEU . . . -143.03 137.88 29.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.2 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.8 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.19 121.33 14.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.06 69.08 65.72 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-N 116.735 -0.212 . . . . 0.0 111.325 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.492 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.9 Cg_endo -65.64 143.51 75.02 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.361 2.04 . . . . 0.0 111.169 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.98 148.51 52.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.558 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 18.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.093 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.465 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 140.19 37.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.385 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' O' ' 8' ' ' SER . 46.8 mt -137.51 135.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.18 118.49 11.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.978 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.598 ' HB1' HD22 ' O' ' 6' ' ' LEU . . . -142.81 138.08 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.176 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.69 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.53 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.32 68.65 66.89 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.483 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 38.2 Cg_endo -65.54 143.11 74.17 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.368 2.045 . . . . 0.0 111.067 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.08 147.96 51.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 111.74 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 21.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.093 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.459 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.0 37.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.6 mt -136.99 134.86 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.71 118.23 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.971 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.681 ' HB1' HD22 ' P' ' 6' ' ' LEU . . . -143.0 138.0 29.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.336 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.57 136.26 47.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.25 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.13 68.4 64.86 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.532 0.206 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.55 ' HB2' HG23 ' O' ' 2' ' ' THR . 40.6 Cg_endo -65.68 141.24 65.4 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.284 1.989 . . . . 0.0 111.133 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.48 148.12 50.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.383 . . . . 0.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 13.2 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.63 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.43 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -137.9 135.9 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.434 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.8 118.86 11.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 138.15 31.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.434 HD22 HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.65 136.15 47.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 121.14 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.218 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.52 ' HB2' HD13 ' A' ' 3' ' ' ILE . 1.3 m -125.49 69.25 61.7 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 120.61 0.243 . . . . 0.0 111.193 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.7 Cg_endo -64.66 143.72 81.9 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 111.81 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.9 m-85 -129.68 150.88 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 17.9 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.026 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.415 ' H2 ' ' HD1' ' K' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 140.69 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mt -138.59 136.82 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.297 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.41 119.06 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.609 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.21 138.25 31.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.593 0.235 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.49 HD22 ' HB1' ' B' ' 5' ' ' ALA . 0.6 OUTLIER -131.6 136.57 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.97 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.543 ' HB2' HD13 ' B' ' 3' ' ' ILE . 1.4 m -125.95 70.24 66.84 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 36.6 Cg_endo -65.99 144.25 75.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.338 2.026 . . . . 0.0 111.659 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.64 149.81 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.39 . . . . 0.0 111.35 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' I' ' 11' ' ' SER . 24.0 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.415 ' HD1' ' H2 ' ' J' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.56 140.68 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.439 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 mt -138.94 137.22 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.3 119.11 11.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.663 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.24 137.77 30.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.554 0.216 . . . . 0.0 111.003 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.485 HD22 HD23 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.47 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 111.032 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.68 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.66 120.88 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.494 ' HB2' HD13 ' C' ' 3' ' ' ILE . 1.2 m -125.65 69.57 63.52 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-O 120.67 0.271 . . . . 0.0 111.233 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.4 Cg_endo -65.38 145.04 82.23 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.271 1.98 . . . . 0.0 111.73 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.471 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.8 m-85 -131.87 149.48 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.307 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.526 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 35.1 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.96 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.792 0.33 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.65 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.477 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -139.76 137.0 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.394 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.32 119.19 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.659 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.26 137.63 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.594 0.235 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.538 HD22 ' HB1' ' D' ' 5' ' ' ALA . 0.6 OUTLIER -131.4 136.51 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.968 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 121.09 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.338 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.523 ' HB2' HD13 ' D' ' 3' ' ' ILE . 1.2 m -125.99 70.03 66.76 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.656 0.265 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -65.8 144.71 78.47 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.405 2.07 . . . . 0.0 111.756 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -131.93 149.13 52.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.264 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 32.0 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.02 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.22 140.57 37.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.528 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.35 137.12 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.443 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.45 119.24 11.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.617 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.31 137.32 30.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.553 0.216 . . . . 0.0 111.091 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.563 HD22 ' HB1' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.39 136.42 48.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.91 0.385 . . . . 0.0 110.914 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.654 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 121.02 14.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.387 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.507 ' HB2' HD13 ' E' ' 3' ' ' ILE . 1.3 m -126.05 70.18 67.45 Favored Pre-proline 0 C--O 1.232 0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 111.21 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.565 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.8 Cg_endo -66.0 145.18 78.87 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.387 2.058 . . . . 0.0 111.749 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.447 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.9 m-85 -132.58 149.01 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' L' ' 11' ' ' SER . 38.1 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.407 ' H2 ' ' HD1' ' O' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.291 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.73 38.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.648 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -140.98 136.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.313 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.46 119.31 11.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.34 30.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.619 0.247 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.563 HD22 ' HB1' ' F' ' 5' ' ' ALA . 0.6 OUTLIER -131.38 136.27 47.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 120.87 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' F' ' 3' ' ' ILE . 1.3 m -125.81 69.81 65.12 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.593 0.235 . . . . 0.0 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.623 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.9 Cg_endo -65.53 145.22 81.74 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.413 2.076 . . . . 0.0 111.712 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.9 m-85 -133.29 148.26 51.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.159 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 36.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.457 -0.782 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.407 ' HD1' ' H2 ' ' N' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.747 0.308 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.55 HG23 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.05 140.77 40.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.754 -179.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -142.26 135.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.457 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.41 119.24 11.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.622 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.51 30.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.566 0.222 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.598 HD22 ' HB1' ' G' ' 5' ' ' ALA . 0.6 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 120.88 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.518 ' HB2' HD13 ' G' ' 3' ' ' ILE . 1.2 m -125.94 69.47 65.45 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 111.221 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.67 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 35.4 Cg_endo -65.59 145.35 81.76 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.404 2.069 . . . . 0.0 111.762 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.459 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 6.4 m-85 -133.68 147.95 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.099 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' N' ' 11' ' ' SER . 50.3 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.138 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.69 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 mt -139.09 137.4 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.99 119.22 12.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.792 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.61 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.543 0.211 . . . . 0.0 111.21 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.681 HD22 ' HB1' ' H' ' 5' ' ' ALA . 0.6 OUTLIER -131.25 136.63 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 110.85 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.623 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.05 121.32 14.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' H' ' 3' ' ' ILE . 1.2 m -126.3 70.88 70.31 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.695 0.284 . . . . 0.0 111.197 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.67 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.9 Cg_endo -66.79 144.88 73.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.461 2.107 . . . . 0.0 111.793 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -133.76 147.07 51.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.237 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.465 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 51.1 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.794 . . . . 0.0 111.079 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.6 140.28 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' I' ' 8' ' ' SER . 44.8 mt -139.35 135.31 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.21 138.7 31.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.38 136.61 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.74 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.809 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.24 121.55 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.375 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -125.61 69.43 62.95 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.617 0.246 . . . . 0.0 111.395 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 36.6 Cg_endo -65.07 141.28 69.31 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.614 2.21 . . . . 0.0 111.507 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.467 ' N ' HG23 ' I' ' 2' ' ' THR . 5.3 m-85 -134.45 152.53 51.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.901 0.382 . . . . 0.0 111.531 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.617 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.486 -0.769 . . . . 0.0 111.455 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.699 0.285 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 140.46 38.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.46 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.498 HD12 ' HB2' ' J' ' 8' ' ' SER . 47.9 mt -138.59 135.88 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.779 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.43 138.2 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.227 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.41 136.51 48.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.721 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.837 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.41 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -125.4 69.68 61.84 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.581 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 33.9 Cg_endo -64.55 142.91 79.87 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.214 1.942 . . . . 0.0 111.413 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.438 ' H ' HG23 ' J' ' 2' ' ' THR . 5.1 m-85 -134.73 150.58 50.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.954 0.407 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.382 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.498 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.689 0.28 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.39 37.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.388 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' K' ' 8' ' ' SER . 47.7 mt -138.36 135.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.14 118.69 11.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.854 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 137.78 30.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.34 136.45 48.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.704 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.51 14.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -125.86 68.54 63.06 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-O 120.619 0.247 . . . . 0.0 111.382 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 31.7 Cg_endo -63.75 143.37 86.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.329 2.019 . . . . 0.0 111.36 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.439 ' H ' HG23 ' K' ' 2' ' ' THR . 5.0 m-85 -134.29 150.02 50.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 111.504 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.369 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.474 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.724 0.297 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.42 37.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.343 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.483 HD12 ' HB2' ' L' ' 8' ' ' SER . 48.0 mt -138.3 135.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.15 118.74 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.864 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.56 138.33 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.271 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.71 136.7 47.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.43 14.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.2 m -126.02 69.3 65.78 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.567 0.222 . . . . 0.0 111.277 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.586 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.5 Cg_endo -65.06 143.04 77.09 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.23 1.953 . . . . 0.0 111.318 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.413 ' H ' HG23 ' L' ' 2' ' ' THR . 5.0 m-85 -133.2 149.69 52.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.532 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.568 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.219 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.53 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.692 0.282 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 140.24 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.328 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' M' ' 8' ' ' SER . 48.0 mt -137.53 135.54 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.18 118.52 11.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.813 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.81 138.17 30.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.262 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.429 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.63 136.42 47.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.51 14.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -126.14 68.82 65.81 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.514 0.197 . . . . 0.0 111.327 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.6 Cg_endo -64.92 143.46 79.5 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.325 2.017 . . . . 0.0 111.229 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -133.46 150.12 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.861 0.362 . . . . 0.0 111.395 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.566 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.437 -0.792 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.484 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.686 0.279 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.19 37.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.356 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' N' ' 8' ' ' SER . 47.1 mt -137.92 135.42 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.2 118.55 11.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.69 138.1 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.49 136.52 47.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.36 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 47.8 m -125.84 68.63 63.07 Favored Pre-proline 0 C--O 1.233 0.191 0 CA-C-O 120.585 0.231 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 37.4 Cg_endo -65.2 142.16 72.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.301 2.001 . . . . 0.0 111.111 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.66 150.68 52.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 111.536 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.039 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.471 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.22 37.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.28 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' O' ' 8' ' ' SER . 50.0 mt -137.47 135.4 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.28 118.58 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.84 138.43 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.274 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.7 136.45 47.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.56 121.4 14.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -125.85 68.08 61.89 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.346 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.495 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -64.92 141.72 72.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.331 2.02 . . . . 0.0 111.185 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.89 150.33 52.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 111.6 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.056 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.443 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.757 0.313 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.8 140.24 38.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.388 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' P' ' 8' ' ' SER . 47.4 mt -137.93 134.5 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.15 0.5 . . . . 0.0 111.197 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.4 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' P' ' 6' ' ' LEU . . . -142.84 138.3 30.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.28 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.66 136.04 47.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.05 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.46 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 40.2 m -125.75 67.25 59.2 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 36.9 Cg_endo -64.35 140.46 70.31 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.236 1.957 . . . . 0.0 111.264 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -128.45 151.84 48.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.804 0.335 . . . . 0.0 111.694 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.482 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.153 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.687 0.28 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.67 140.69 38.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.305 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.8 mt -138.74 135.39 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.519 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.89 118.81 11.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.93 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.188 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.468 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.72 136.09 47.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.17 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.277 179.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.497 ' HB2' HD12 ' A' ' 3' ' ' ILE . 49.0 m -125.88 68.51 63.1 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.8 Cg_endo -64.02 142.98 83.52 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.336 2.024 . . . . 0.0 111.823 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -130.6 152.87 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 111.446 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.46 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.51 37.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 45.3 mt -138.72 136.26 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.341 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.13 119.24 12.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.617 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.58 31.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.611 0.243 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.468 ' HG ' ' HA ' ' I' ' 6' ' ' LEU . 0.8 OUTLIER -131.48 136.48 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.038 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.825 ' HB3' HD13 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.98 13.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.498 ' HB2' HD12 ' B' ' 3' ' ' ILE . 44.0 m -126.03 69.35 65.94 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-O 120.619 0.247 . . . . 0.0 111.174 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.592 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.6 Cg_endo -65.19 143.7 78.64 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.387 2.058 . . . . 0.0 111.717 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -131.9 151.75 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 111.285 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.499 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.439 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.54 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 mt -139.48 136.47 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.39 119.06 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.631 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.15 138.76 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.616 0.246 . . . . 0.0 110.925 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.446 ' HA ' ' HG ' ' L' ' 6' ' ' LEU . 0.8 OUTLIER -131.64 136.29 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.0 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.07 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.384 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.471 ' HB2' HD12 ' C' ' 3' ' ' ILE . 51.0 m -126.56 68.96 69.37 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.633 0.254 . . . . 0.0 111.184 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.626 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 32.8 Cg_endo -64.77 144.54 83.99 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.325 2.017 . . . . 0.0 111.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.474 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.7 m-85 -132.96 150.74 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.221 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.413 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.49 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.339 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.48 136.55 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.49 119.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.751 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.87 31.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.571 0.224 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' K' ' 6' ' ' LEU . 0.7 OUTLIER -131.47 136.42 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.971 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.57 121.08 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.341 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.483 ' HB2' HD12 ' D' ' 3' ' ' ILE . 48.2 m -125.72 68.78 62.47 Favored Pre-proline 0 N--CA 1.456 -0.159 0 CA-C-O 120.667 0.27 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.7 Cg_endo -64.5 144.72 85.98 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.393 2.062 . . . . 0.0 111.696 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.53 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.6 m-85 -134.11 150.72 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.244 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.596 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.42 ' H3 ' ' HA ' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.752 0.31 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.78 37.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.546 -179.477 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.58 136.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.37 119.25 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.66 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.13 31.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.58 0.229 . . . . 0.0 111.052 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' N' ' 6' ' ' LEU . 0.7 OUTLIER -131.36 136.22 47.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.922 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.96 13.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.49 ' HB2' HD12 ' E' ' 3' ' ' ILE . 34.5 m -126.2 68.56 65.73 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 111.183 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.635 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.3 Cg_endo -64.33 144.95 87.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.314 2.01 . . . . 0.0 111.819 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.484 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.7 m-85 -134.19 150.56 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.203 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.596 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.42 ' HA ' ' H3 ' ' M' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.2 140.56 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 -179.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -140.98 136.68 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.152 0.501 . . . . 0.0 111.502 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.58 119.12 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.648 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.86 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.556 0.217 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' HA ' ' M' ' 6' ' ' LEU . 0.8 OUTLIER -131.54 136.26 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.072 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD13 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.93 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.474 ' HB2' HD12 ' F' ' 3' ' ' ILE . 38.5 m -125.97 68.63 64.12 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.666 0.27 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.635 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 31.6 Cg_endo -64.23 145.18 88.42 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.364 2.043 . . . . 0.0 111.724 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.471 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.7 m-85 -134.6 149.89 50.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.26 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.612 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.407 ' HA ' ' H3 ' ' N' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.754 0.312 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.516 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.89 140.75 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.65 -179.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.59 136.03 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.48 119.14 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.749 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 138.38 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.476 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.13 47.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.908 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 120.75 13.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.454 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.477 ' HB2' HD12 ' G' ' 3' ' ' ILE . 41.2 m -125.77 68.51 62.26 Favored Pre-proline 0 C--O 1.232 0.163 0 CA-C-O 120.651 0.263 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.6 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.28 145.23 88.25 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.333 2.022 . . . . 0.0 111.646 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.443 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 5.8 m-85 -135.48 149.61 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.093 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.063 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.65 38.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.364 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -139.89 137.23 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.16 119.42 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 138.85 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.611 0.243 . . . . 0.0 111.276 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.472 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.52 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.73 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.12 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.447 ' HB2' HD12 ' H' ' 3' ' ' ILE . 47.4 m -126.57 70.04 70.95 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.307 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.6 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.3 Cg_endo -66.6 143.22 67.63 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.408 2.072 . . . . 0.0 111.868 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -134.34 148.51 50.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.65 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.539 -0.743 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mt -138.39 135.32 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.06 12.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.24 137.74 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.236 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.5 136.44 48.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.852 0.358 . . . . 0.0 110.578 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.82 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.48 121.48 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.43 71.63 71.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.756 0.312 . . . . 0.0 111.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.3 Cg_endo -65.83 142.94 71.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.525 2.15 . . . . 0.0 111.5 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -134.65 151.48 51.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 111.618 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.539 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.444 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.36 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 111.515 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -138.16 135.25 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.08 118.9 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.32 138.29 31.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.267 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.22 136.5 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.734 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.5 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.09 70.62 68.49 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.627 0.251 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.601 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.6 Cg_endo -64.51 143.89 83.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.334 2.023 . . . . 0.0 111.349 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -134.86 149.52 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 111.621 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.388 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.46 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.69 135.13 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.66 11.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.864 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.4 138.37 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.261 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.5 48.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.823 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.39 121.33 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -126.32 69.68 68.63 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.597 0.237 . . . . 0.0 111.362 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.4 Cg_endo -64.1 144.37 87.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.419 2.079 . . . . 0.0 111.407 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.23 149.62 50.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 0.0 111.557 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.187 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.67 0.272 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.16 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.439 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -137.65 135.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.3 118.79 11.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.47 138.22 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.235 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.3 136.54 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.823 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 121.35 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.3 70.0 68.98 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.634 0.254 . . . . 0.0 111.329 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.605 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.71 143.26 80.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.338 2.026 . . . . 0.0 111.39 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -132.71 148.46 52.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 0.0 111.787 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.645 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.198 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.467 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.751 0.31 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.42 37.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.453 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' M' ' 10' ' ' TYR . 51.8 mt -137.77 134.98 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.31 118.77 11.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.837 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.52 138.46 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.316 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.4 48.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.48 121.47 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -126.57 69.89 70.79 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.372 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.605 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.2 Cg_endo -64.75 143.23 79.74 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.328 2.019 . . . . 0.0 111.443 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.28 148.28 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.585 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.637 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.157 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.61 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.361 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.6 mt -137.98 135.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.24 118.68 11.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.54 138.04 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.288 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.56 136.36 47.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.818 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.785 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.56 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -126.16 69.37 66.97 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 35.9 Cg_endo -64.63 142.4 77.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 0.0 111.269 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -130.78 149.09 52.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.897 0.38 . . . . 0.0 111.564 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.649 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 111.198 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.516 ' HD1' ' H1 ' ' H' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.663 0.268 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.31 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.411 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.3 mt -137.8 135.62 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.37 118.74 11.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.773 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' H' ' 5' ' ' ALA . . . -142.6 137.84 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.324 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.38 136.37 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.984 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.59 14.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.69 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -126.62 69.12 70.03 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.562 0.22 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.472 ' HB2' HG21 ' N' ' 2' ' ' THR . 37.1 Cg_endo -64.86 142.72 77.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.367 2.045 . . . . 0.0 111.255 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.58 148.78 52.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.877 0.37 . . . . 0.0 111.658 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.649 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.022 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.516 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.37 37.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' P' ' 10' ' ' TYR . 54.3 mt -137.45 134.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.79 118.55 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' G' ' 5' ' ' ALA . . . -142.83 138.43 30.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.425 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 136.06 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.19 121.52 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.516 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -126.39 68.25 66.52 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.529 ' HB2' HG21 ' O' ' 2' ' ' THR . 36.1 Cg_endo -63.99 140.74 74.09 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.341 2.027 . . . . 0.0 111.107 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -128.18 149.45 50.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.841 0.353 . . . . 0.0 111.764 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.093 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.64 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 mt -137.61 135.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.34 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.85 119.03 12.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.77 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.64 31.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.259 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.66 135.54 46.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.171 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.15 121.18 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.345 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -126.27 69.42 67.85 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.229 . . . . 0.0 111.329 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.638 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.3 Cg_endo -63.93 144.45 88.11 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.81 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.444 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -131.16 151.29 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.376 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.514 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.43 140.77 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.419 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.18 136.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.18 119.22 11.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.618 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.27 138.22 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.622 0.248 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.453 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.45 136.44 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.8 121.08 13.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.473 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.6 m -126.39 70.12 69.78 Favored Pre-proline 0 C--O 1.231 0.118 0 CA-C-O 120.721 0.296 . . . . 0.0 111.24 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.638 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 34.1 Cg_endo -64.82 145.05 85.41 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.407 2.071 . . . . 0.0 111.783 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.5 m-85 -132.71 150.04 52.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.693 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.412 ' H1 ' ' HD1' ' L' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.749 0.309 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 140.76 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.396 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -138.57 136.34 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.331 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.31 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.692 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.35 138.03 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.545 0.212 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.48 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.43 136.47 48.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 121.01 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -126.18 70.05 68.21 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.617 0.246 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.539 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 35.2 Cg_endo -65.19 144.61 81.87 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.336 2.024 . . . . 0.0 111.765 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.6 m-85 -132.32 149.71 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.693 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.065 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.436 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.683 0.277 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.83 140.71 36.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -138.86 136.59 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.53 119.1 11.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.564 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.2 137.82 31.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.563 0.22 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.458 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.42 136.34 47.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.99 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.37 70.13 69.7 Favored Pre-proline 0 CA--C 1.528 0.123 0 CA-C-O 120.591 0.234 . . . . 0.0 111.202 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.3 Cg_endo -65.21 145.22 83.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.368 2.045 . . . . 0.0 111.62 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.467 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -133.28 149.01 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.033 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.436 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.814 0.34 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.71 140.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.57 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 53.1 mt -139.45 136.5 40.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.45 119.42 11.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.624 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.68 30.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.548 0.214 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.507 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.13 136.11 48.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.78 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.73 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.96 13.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.673 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -126.3 69.72 68.51 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.625 0.25 . . . . 0.0 111.181 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.611 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.79 145.12 85.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.325 2.017 . . . . 0.0 111.758 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.6 m-85 -133.74 148.73 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.055 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.685 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.377 -0.821 . . . . 0.0 110.987 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.472 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.57 140.85 37.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.686 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -140.85 136.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.457 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.55 119.23 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.693 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 138.34 32.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.566 0.222 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.488 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.26 47.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.019 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.73 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.96 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.442 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.29 69.1 67.49 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-O 120.617 0.246 . . . . 0.0 111.354 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.611 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.6 Cg_endo -64.14 145.27 88.97 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.351 2.034 . . . . 0.0 111.889 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.451 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.8 m-85 -133.92 148.4 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.715 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.155 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.47 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.746 0.308 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.529 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.47 140.8 37.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.764 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 57.6 mt -141.07 135.89 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.507 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.62 119.51 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.663 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.8 137.81 31.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.672 0.272 . . . . 0.0 111.226 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.521 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.27 136.19 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.864 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 120.89 13.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.363 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.32 69.75 68.73 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-O 120.718 0.294 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.702 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.9 Cg_endo -64.78 145.22 85.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.386 2.057 . . . . 0.0 111.791 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' G' ' 3' ' ' ILE . 5.9 m-85 -134.57 148.13 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.718 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.47 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.44 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.45 137.1 40.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.281 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.22 119.56 12.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.746 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.91 138.19 31.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.338 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.469 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.24 136.34 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.754 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.32 14.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.586 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 7.5 m -127.26 71.96 76.74 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.739 0.304 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.702 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.7 Cg_endo -67.41 143.28 62.91 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.387 2.058 . . . . 0.0 112.012 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . 0.414 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.4 m-85 -132.93 147.25 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.718 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.15 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.703 0.287 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 136.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.451 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 3' ' ' ILE . 5.0 mt -143.05 132.31 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.11 119.06 12.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' B' ' 5' ' ' ALA . . . -141.92 126.78 18.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 1.7 pp -129.46 136.33 49.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.421 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.754 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.27 121.79 36.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.305 -179.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -117.92 72.62 8.75 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.748 ' HG3' ' HB3' ' I' ' 4' ' ' ALA . 32.8 Cg_exo -61.66 143.31 96.48 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.721 2.281 . . . . 0.0 112.14 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' B' ' 9' ' ' PRO . 1.8 m-85 -135.87 139.48 43.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.417 ' OXT' ' HB3' ' B' ' 11' ' ' SER . 10.8 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.596 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.707 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.42 137.51 35.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.366 . . . . 0.0 111.512 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.627 HG12 ' HB ' ' C' ' 3' ' ' ILE . 3.4 mt -143.04 132.68 21.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.11 118.79 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.096 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.437 ' HB1' HD23 ' J' ' 6' ' ' LEU . . . -141.92 124.77 16.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.59 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 1.7 pp -128.04 136.22 50.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.44 121.43 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.327 -179.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -117.61 72.59 7.85 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.881 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.809 ' HG3' ' HB3' ' J' ' 4' ' ' ALA . 35.8 Cg_exo -60.81 145.05 99.58 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.687 2.258 . . . . 0.0 112.099 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -137.32 138.27 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.456 ' HB2' ' OG1' ' J' ' 2' ' ' THR . 11.9 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.533 ' HB2' ' HE2' ' J' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 137.23 34.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.414 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.627 ' HB ' HG12 ' B' ' 3' ' ' ILE . 4.0 mt -143.09 132.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -140.2 118.81 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.137 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.14 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' HB2' ' D' ' 6' ' ' LEU . 1.6 pp -128.32 136.08 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.48 121.64 36.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.329 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -118.0 72.27 8.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.944 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.754 ' HG3' ' HB3' ' K' ' 4' ' ' ALA . 38.4 Cg_exo -60.37 145.41 98.7 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.732 2.288 . . . . 0.0 112.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -137.56 136.82 37.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.889 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.555 ' HB2' ' HE2' ' K' ' 10' ' ' TYR . 12.9 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.657 0.265 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.64 137.51 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.62 HG12 ' HB ' ' E' ' 3' ' ' ILE . 4.9 mt -143.22 132.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -140.23 118.7 12.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.041 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' E' ' 5' ' ' ALA . . . -141.93 126.17 17.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.49 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 1.6 pp -129.51 136.25 49.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -123.48 121.69 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.301 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -118.23 72.14 9.32 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.848 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.715 ' HG3' ' HB3' ' L' ' 4' ' ' ALA . 35.0 Cg_exo -60.9 145.31 99.24 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.714 2.276 . . . . 0.0 112.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.91 137.12 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.922 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.411 ' HB2' ' HE2' ' L' ' 10' ' ' TYR . 14.0 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.807 0.336 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 137.4 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.353 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.62 ' HB ' HG12 ' D' ' 3' ' ' ILE . 4.6 mt -143.11 132.38 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -140.14 118.51 12.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.063 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' F' ' 5' ' ' ALA . . . -142.04 124.94 16.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.49 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 1.6 pp -128.67 136.22 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.631 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -123.68 121.46 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.205 -179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -118.11 72.62 9.28 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.667 ' HG3' ' HB3' ' M' ' 4' ' ' ALA . 31.6 Cg_exo -61.39 145.23 98.39 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.81 2.34 . . . . 0.0 112.077 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.16 137.11 40.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.899 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.491 ' HB2' ' HE2' ' M' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.733 0.301 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 137.46 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.389 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.58 HG12 ' HB ' ' G' ' 3' ' ' ILE . 5.0 mt -143.31 132.51 20.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -140.25 118.55 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.118 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' G' ' 5' ' ' ALA . . . -141.94 125.1 16.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 1.7 pp -128.72 136.04 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.51 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -123.58 121.58 35.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.157 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -118.2 72.28 9.33 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.622 ' HD2' ' HA ' ' E' ' 9' ' ' PRO . 29.5 Cg_exo -61.31 145.09 98.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.786 2.324 . . . . 0.0 111.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.77 135.94 40.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 9.3 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 137.71 35.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.58 ' HB ' HG12 ' F' ' 3' ' ' ILE . 5.3 mt -142.99 132.24 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -140.09 118.24 11.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.032 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' F' ' 5' ' ' ALA . . . -142.26 123.94 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.558 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 1.7 pp -128.48 136.18 50.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.489 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -123.49 121.66 36.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -117.98 72.1 8.6 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.72 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.625 ' HG3' ' HB3' ' O' ' 4' ' ' ALA . 28.5 Cg_exo -61.5 145.2 98.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.609 2.206 . . . . 0.0 111.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.5 136.33 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 10.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.599 0.237 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.59 137.92 35.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.585 HD13 ' HB3' ' P' ' 8' ' ' SER . 5.2 mt -142.97 131.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 111.232 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.27 118.37 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' G' ' 5' ' ' ALA . . . -142.51 124.12 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.942 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 1.7 pp -127.97 135.99 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.375 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.601 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -123.75 121.62 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.161 -179.362 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -118.38 71.66 9.43 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.549 ' HD2' ' HA ' ' G' ' 9' ' ' PRO . 27.2 Cg_exo -61.56 144.95 98.1 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.67 2.247 . . . . 0.0 111.799 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.45 135.57 42.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.941 0.4 . . . . 0.0 111.358 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 8.6 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.745 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.697 0.284 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 138.14 35.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' J' ' 3' ' ' ILE . 7.5 mt -143.56 133.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 111.513 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.748 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -140.79 118.66 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' J' ' 5' ' ' ALA . . . -142.76 121.46 12.6 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.467 ' HB2' ' HG ' ' J' ' 6' ' ' LEU . 1.8 pp -125.78 136.59 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.471 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.484 ' C ' ' HD3' ' I' ' 9' ' ' PRO . 0.0 OUTLIER -123.06 122.39 38.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.372 -179.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -116.98 72.16 5.87 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.73 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' I' ' 7' ' ' LEU . 35.3 Cg_exo -59.95 145.4 98.43 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.642 2.228 . . . . 0.0 112.259 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.596 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 1.9 m-85 -136.03 138.32 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.353 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.585 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 8.9 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.645 0.259 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' B' ' 11' ' ' SER . 0.2 OUTLIER -139.61 138.3 36.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' K' ' 3' ' ' ILE . 7.4 mt -143.77 133.75 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.303 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.809 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -140.7 118.86 11.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' I' ' 5' ' ' ALA . . . -142.67 119.71 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' I' ' 6' ' ' LEU . 1.8 pp -124.95 136.4 53.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.723 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.496 ' C ' ' HD3' ' J' ' 9' ' ' PRO . 0.0 OUTLIER -122.22 122.21 38.62 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.351 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.474 ' HB3' HD13 ' B' ' 3' ' ' ILE . 55.8 m -116.88 72.08 5.69 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.652 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.496 ' HD3' ' C ' ' J' ' 7' ' ' LEU . 39.3 Cg_exo -60.46 145.49 98.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.656 2.237 . . . . 0.0 112.201 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.533 ' HE2' ' HB2' ' C' ' 1' ' ' TYR . 1.9 m-85 -136.83 137.91 40.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.585 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.1 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.738 0.304 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 138.11 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . 0.619 HG12 ' HB ' ' J' ' 3' ' ' ILE . 7.3 mt -143.73 133.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 0.0 111.22 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.754 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -140.57 118.76 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.6 120.53 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.453 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . 1.8 pp -125.81 136.21 52.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 110.636 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.487 ' C ' ' HD3' ' K' ' 9' ' ' PRO . 0.0 OUTLIER -122.37 122.3 38.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.491 -179.224 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.486 ' HB3' HD13 ' C' ' 3' ' ' ILE . 58.5 m -117.07 71.86 5.95 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.487 ' HD3' ' C ' ' K' ' 7' ' ' LEU . 39.1 Cg_exo -60.68 145.51 98.77 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.639 2.226 . . . . 0.0 112.286 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HB2' ' D' ' 1' ' ' TYR . 1.9 m-85 -136.69 138.35 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.86 137.95 35.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.664 ' HB ' HG12 ' M' ' 3' ' ' ILE . 7.7 mt -143.62 133.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.157 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.715 ' HB3' ' HG3' ' D' ' 9' ' ' PRO . . . -140.76 118.67 11.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.299 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.57 122.13 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' K' ' 6' ' ' LEU . 1.8 pp -127.27 136.33 51.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.488 ' C ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -122.63 122.14 38.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.395 -179.187 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.516 ' HB3' HD13 ' D' ' 3' ' ' ILE . 58.8 m -117.39 72.23 7.02 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.719 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.54 ' HD2' ' HA ' ' M' ' 9' ' ' PRO . 39.6 Cg_exo -60.65 145.58 98.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.74 2.293 . . . . 0.0 112.241 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.411 ' HE2' ' HB2' ' E' ' 1' ' ' TYR . 1.8 m-85 -137.06 137.28 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 9.2 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' M' M ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 138.04 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . 0.664 HG12 ' HB ' ' L' ' 3' ' ' ILE . 7.9 mt -143.55 134.36 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.667 ' HB3' ' HG3' ' E' ' 9' ' ' PRO . . . -140.61 118.76 11.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.348 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 121.93 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.457 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . 1.7 pp -127.65 136.11 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.609 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.491 ' C ' ' HD3' ' M' ' 9' ' ' PRO . 0.0 OUTLIER -122.86 121.99 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.502 ' HB3' HD13 ' E' ' 3' ' ' ILE . 58.6 m -117.0 72.34 5.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.796 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.599 ' HD2' ' HA ' ' N' ' 9' ' ' PRO . 36.0 Cg_exo -61.06 145.36 99.07 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.491 ' HE2' ' HB2' ' F' ' 1' ' ' TYR . 1.9 m-85 -137.19 137.45 39.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.166 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . 0.615 HG12 ' HB ' ' M' ' 3' ' ' ILE . 7.4 mt -143.44 133.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.205 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.615 ' HB3' ' HG3' ' F' ' 9' ' ' PRO . . . -140.52 118.73 12.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.61 125.09 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' M' ' 6' ' ' LEU . 1.8 pp -130.38 136.0 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.493 ' C ' ' HD3' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -122.96 121.97 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.48 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.547 ' HB3' HD13 ' F' ' 3' ' ' ILE . 57.1 m -117.27 71.98 6.56 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.629 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.641 ' HD2' ' HA ' ' O' ' 9' ' ' PRO . 39.5 Cg_exo -60.6 145.51 98.69 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.66 2.24 . . . . 0.0 112.208 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -137.25 137.62 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 10.6 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.9 137.87 35.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.286 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . 0.752 ' HB ' HG12 ' P' ' 3' ' ' ILE . 7.9 mt -143.56 134.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.625 ' HB3' ' HG3' ' G' ' 9' ' ' PRO . . . -140.38 118.48 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.87 124.66 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.446 ' HG ' ' HB2' ' N' ' 6' ' ' LEU . 1.8 pp -130.55 136.1 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.594 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.632 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -122.98 121.91 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.446 -179.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.575 ' HB3' HD13 ' G' ' 3' ' ' ILE . 60.6 m -116.92 71.04 5.3 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.71 ' HD2' ' HA ' ' P' ' 9' ' ' PRO . 33.9 Cg_exo -59.7 145.54 97.87 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.77 137.62 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.474 ' HB3' ' OXT' ' P' ' 11' ' ' SER . 11.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.644 0.259 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.74 137.42 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.372 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . 0.752 HG12 ' HB ' ' O' ' 3' ' ' ILE . 8.2 mt -143.57 133.43 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' H' ' 9' ' ' PRO . . . -139.19 118.13 12.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.241 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.92 125.8 16.14 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -131.21 136.28 48.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.362 . . . . 0.0 110.433 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.632 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -121.64 122.14 38.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.585 ' HB3' HD13 ' H' ' 3' ' ' ILE . 58.6 m -117.54 73.09 7.91 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.71 ' HA ' ' HD2' ' O' ' 9' ' ' PRO . 27.6 Cg_exo -62.33 144.93 95.89 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.766 2.311 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.9 137.93 38.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.474 ' OXT' ' HB3' ' O' ' 11' ' ' SER . 11.9 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.017 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.08 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 4' ' ' ALA . 25.6 mt -137.86 137.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.431 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -139.52 126.32 20.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.338 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.605 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 139.44 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.64 6.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.566 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 m -129.07 70.52 81.67 Favored Pre-proline 0 N--CA 1.457 -0.121 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.701 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -67.15 142.79 62.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.568 2.179 . . . . 0.0 112.213 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' N ' HG23 ' I' ' 2' ' ' THR . 16.2 m-85 -132.08 140.88 49.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.451 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.87 140.52 38.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.527 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.44 HG22 ' N ' ' B' ' 4' ' ' ALA . 25.4 mt -137.62 137.18 45.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . 0.44 ' N ' HG22 ' B' ' 3' ' ' ILE . . . -139.91 126.27 20.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.222 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.59 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.36 139.42 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.792 179.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.767 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.8 42.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.426 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.3 m -129.38 69.8 81.44 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.753 0.311 . . . . 0.0 110.706 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.68 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.0 Cg_endo -65.86 145.38 80.22 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.19 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.492 ' N ' HG23 ' J' ' 2' ' ' THR . 14.7 m-85 -133.45 139.42 46.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.693 0.282 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.36 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.434 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.441 HG22 ' N ' ' C' ' 4' ' ' ALA . 24.8 mt -138.05 136.98 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . 0.441 ' N ' HG22 ' C' ' 3' ' ' ILE . . . -140.02 126.27 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.299 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.556 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.15 139.56 33.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 111.856 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.816 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.24 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.827 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 120.99 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.64 0.257 . . . . 0.0 110.431 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.52 69.09 81.19 Favored Pre-proline 0 N--CA 1.456 -0.153 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.654 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.2 Cg_endo -65.21 145.33 83.91 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.545 2.163 . . . . 0.0 112.164 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.485 ' H ' HG23 ' K' ' 2' ' ' THR . 14.7 m-85 -133.26 137.91 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.571 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.17 37.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.32 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.446 HG22 ' N ' ' D' ' 4' ' ' ALA . 30.2 mt -137.45 137.19 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.042 0.449 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . 0.446 ' N ' HG22 ' D' ' 3' ' ' ILE . . . -140.21 126.05 19.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.259 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.55 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.819 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.05 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD11 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.63 120.94 42.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.629 0.252 . . . . 0.0 110.524 179.193 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -129.53 69.5 81.4 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.1 Cg_endo -65.39 145.4 83.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.466 2.111 . . . . 0.0 111.922 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.458 ' H ' HG23 ' L' ' 2' ' ' THR . 13.6 m-85 -132.9 138.37 46.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.56 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.494 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.703 0.287 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.13 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.254 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.45 HG22 ' N ' ' E' ' 4' ' ' ALA . 28.8 mt -137.51 137.16 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . 0.45 ' N ' HG22 ' E' ' 3' ' ' ILE . . . -140.01 126.38 20.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.271 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.864 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.45 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.812 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.95 121.02 42.64 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.452 179.241 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -129.7 69.45 81.52 Favored Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.626 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.0 Cg_endo -66.02 145.34 79.21 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.375 2.05 . . . . 0.0 112.014 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.462 ' H ' HG23 ' M' ' 2' ' ' THR . 14.1 m-85 -132.66 138.11 47.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.651 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.51 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.721 0.296 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.31 37.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.433 HG22 ' N ' ' F' ' 4' ' ' ALA . 27.7 mt -137.84 136.9 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.257 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . 0.433 ' N ' HG22 ' F' ' 3' ' ' ILE . . . -140.1 126.46 20.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.254 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.605 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.41 139.09 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.873 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 102.88 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 120.99 42.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.649 0.262 . . . . 0.0 110.558 179.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -129.83 69.42 81.61 Favored Pre-proline 0 C--N 1.333 -0.113 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.609 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 37.1 Cg_endo -66.04 145.1 78.42 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.377 2.051 . . . . 0.0 111.836 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.442 ' H ' HG23 ' N' ' 2' ' ' THR . 13.3 m-85 -131.48 138.15 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.059 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 5.5 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.461 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.71 0.291 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.32 37.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.335 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.43 HG22 ' N ' ' G' ' 4' ' ' ALA . 35.5 mt -138.18 137.0 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . 0.43 ' N ' HG22 ' G' ' 3' ' ' ILE . . . -140.09 126.34 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.163 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.649 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.03 33.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 111.775 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.83 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.45 102.92 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.9 120.93 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.47 179.283 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -130.2 69.52 81.94 Favored Pre-proline 0 C--O 1.232 0.14 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.609 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 38.4 Cg_endo -66.76 145.19 74.4 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.429 2.086 . . . . 0.0 111.802 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . 0.407 ' H ' HG23 ' O' ' 2' ' ' THR . 13.3 m-85 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.088 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.652 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.686 0.279 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.38 37.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.285 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.438 HG22 ' N ' ' H' ' 4' ' ' ALA . 34.3 mt -137.66 136.32 45.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.189 0.519 . . . . 0.0 111.48 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . 0.438 ' N ' HG22 ' H' ' 3' ' ' ILE . . . -140.11 125.48 18.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.531 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.616 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.84 138.57 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.83 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.67 103.25 6.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.674 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.64 120.94 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.572 179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -130.1 69.55 81.88 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.512 ' HB2' HG22 ' O' ' 2' ' ' THR . 41.9 Cg_endo -66.58 143.41 68.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.34 2.026 . . . . 0.0 111.745 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.08 135.92 49.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.578 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.546 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.836 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.461 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.68 0.276 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.7 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.405 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . 0.422 HG22 ' N ' ' I' ' 4' ' ' ALA . 39.1 mt -137.38 136.62 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 111.724 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . 0.422 ' N ' HG22 ' I' ' 3' ' ' ILE . . . -140.43 121.7 14.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.61 139.23 38.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.081 0.467 . . . . 0.0 111.61 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 104.01 6.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.101 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.71 120.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 0.0 110.442 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.68 69.27 81.42 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.643 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.6 Cg_endo -66.82 145.25 74.24 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.475 2.116 . . . . 0.0 112.135 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 17.7 m-85 -130.43 141.64 50.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.685 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.781 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.461 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.492 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.62 37.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.362 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . 0.433 HG22 ' N ' ' J' ' 4' ' ' ALA . 39.5 mt -137.75 137.1 45.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.462 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.433 ' N ' HG22 ' J' ' 3' ' ' ILE . . . -140.54 123.99 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.48 139.36 35.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.378 . . . . 0.0 111.401 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.75 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.21 121.05 43.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.433 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -130.23 69.45 81.95 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.657 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 38.0 Cg_endo -67.2 145.37 72.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.565 2.177 . . . . 0.0 112.189 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 16.2 m-85 -131.38 141.94 49.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.444 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.485 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.383 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . 0.425 HG22 ' N ' ' K' ' 4' ' ' ALA . 39.6 mt -138.14 137.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.46 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . 0.425 ' N ' HG22 ' K' ' 3' ' ' ILE . . . -140.67 122.96 15.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.399 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.72 139.44 36.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.357 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.881 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.88 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.755 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.95 43.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.609 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -129.55 69.08 81.21 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 120.686 0.279 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.657 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 37.3 Cg_endo -66.85 145.42 74.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.528 2.152 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.571 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 16.2 m-85 -131.67 141.31 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.681 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.418 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.715 0.293 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.458 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.48 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.367 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.44 HG22 ' N ' ' L' ' 4' ' ' ALA . 39.6 mt -138.07 137.17 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . 0.44 ' N ' HG22 ' L' ' 3' ' ' ILE . . . -140.69 123.73 16.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.339 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.65 139.33 34.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.858 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.66 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.066 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.755 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.46 120.87 43.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.565 0.221 . . . . 0.0 110.527 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.84 69.4 81.61 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.666 0.27 . . . . 0.0 110.804 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.64 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.8 Cg_endo -67.09 145.36 72.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.243 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 15.4 m-85 -131.52 141.16 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.423 ' H1 ' ' HD1' ' N' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.659 0.266 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.462 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.73 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.41 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . 0.444 HG22 ' N ' ' M' ' 4' ' ' ALA . 40.8 mt -139.12 136.98 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.087 0.47 . . . . 0.0 111.47 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.444 ' N ' HG22 ' M' ' 3' ' ' ILE . . . -140.72 124.0 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.14 139.46 35.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.395 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.06 6.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.97 120.83 42.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 43.9 m -129.76 68.72 81.01 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.4 Cg_endo -66.51 145.69 77.47 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.564 2.176 . . . . 0.0 112.148 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.51 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 15.8 m-85 -132.44 140.76 48.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.423 ' HD1' ' H1 ' ' M' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.442 HG23 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.65 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.565 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . 0.448 HG22 ' N ' ' N' ' 4' ' ' ALA . 43.5 mt -139.88 136.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.448 ' N ' HG22 ' N' ' 3' ' ' ILE . . . -140.84 123.74 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.213 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.47 36.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.92 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 120.71 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.581 0.229 . . . . 0.0 110.513 179.391 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 46.9 m -129.96 68.68 81.16 Favored Pre-proline 0 CA--C 1.529 0.164 0 CA-C-O 120.727 0.298 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.3 Cg_endo -66.37 145.85 78.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.494 2.129 . . . . 0.0 112.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.461 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 15.3 m-85 -132.43 140.57 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.616 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.434 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.512 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.94 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.656 -179.387 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . 0.452 HG22 ' N ' ' O' ' 4' ' ' ALA . 44.2 mt -140.29 136.79 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.131 0.491 . . . . 0.0 111.6 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.452 ' N ' HG22 ' O' ' 3' ' ' ILE . . . -140.78 123.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.295 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.81 139.29 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.467 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.809 ' HB3' HD13 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.56 7.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.38 39.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.648 0.261 . . . . 0.0 110.475 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -129.31 68.95 80.88 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.603 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 37.0 Cg_endo -66.49 145.59 77.27 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.536 2.157 . . . . 0.0 112.288 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -132.73 140.95 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.69 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.661 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.434 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.78 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.476 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . 0.457 HG22 ' N ' ' P' ' 4' ' ' ALA . 40.1 mt -138.96 137.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.401 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.457 ' N ' HG22 ' P' ' 3' ' ' ILE . . . -140.39 123.59 16.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.33 36.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.607 0.242 . . . . 0.0 111.65 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.693 ' HB3' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.52 107.56 8.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.686 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.38 120.95 41.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.617 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -130.24 71.12 82.36 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -68.15 144.92 64.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.566 2.178 . . . . 0.0 112.225 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -133.27 140.06 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.661 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.721 0.296 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -137.42 137.02 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.019 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.16 126.41 21.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.162 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.599 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.61 139.44 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.35 6.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.817 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -110.93 120.98 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.48 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.46 69.67 81.43 Favored Pre-proline 0 N--CA 1.456 -0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.697 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 48.5 Cg_endo -68.8 142.47 52.46 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.499 2.133 . . . . 0.0 112.173 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' N ' HG22 ' I' ' 2' ' ' THR . 16.0 m-85 -131.35 142.62 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.479 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.582 0.229 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.59 140.38 38.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.443 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 mt -137.05 137.08 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 125.67 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.188 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.73 33.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 111.828 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.816 HD12 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.06 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.871 179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.93 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -129.23 69.28 81.04 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.4 Cg_endo -67.31 145.19 71.07 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.076 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.431 ' H ' HG22 ' J' ' 2' ' ' THR . 15.0 m-85 -133.58 140.02 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.562 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.536 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.733 0.302 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' THR . . . . . 0.418 ' HB ' HG23 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.18 140.27 37.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.91 137.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.108 0.48 . . . . 0.0 111.186 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 125.84 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.204 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.4 139.56 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.868 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.17 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.835 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.78 120.93 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.16 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.57 68.6 80.63 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.617 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -66.74 145.12 74.27 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.499 2.132 . . . . 0.0 111.957 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.409 ' H ' HG22 ' K' ' 2' ' ' THR . 14.2 m-85 -133.16 139.51 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.562 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' THR . . . . . 0.48 ' HB ' HG23 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.31 37.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.394 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -137.08 137.01 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.98 125.69 19.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.561 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.22 139.58 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 111.878 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 102.97 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.817 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.5 121.03 43.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.364 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.91 68.82 81.28 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.559 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 39.7 Cg_endo -67.27 145.18 71.24 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.12 . . . . 0.0 111.902 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.402 ' H ' HG22 ' L' ' 2' ' ' THR . 14.0 m-85 -132.74 138.64 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.02 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.559 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.2 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' THR . . . . . 0.48 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.07 140.37 38.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 125.88 19.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.211 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.535 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.27 139.64 33.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 111.808 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.792 ' HB3' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.25 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.752 179.629 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 121.03 43.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.42 179.185 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.97 68.51 80.94 Favored Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.64 144.95 74.32 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.479 2.119 . . . . 0.0 111.8 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -132.52 139.19 47.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.967 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.589 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.662 0.268 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 2' ' ' THR . . . . . 0.464 ' HB ' HG23 ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.13 140.21 37.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' N' ' 10' ' ' TYR . 30.6 mt -136.88 137.2 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.022 0.439 . . . . 0.0 111.233 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 125.84 19.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.62 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.833 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.1 6.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.771 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -112.91 120.76 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.367 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -129.92 68.31 80.62 Favored Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.3 Cg_endo -67.1 145.11 72.11 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.376 2.05 . . . . 0.0 111.859 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -131.93 138.82 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.07 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.589 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.456 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 2' ' ' THR . . . . . 0.464 HG23 ' HB ' ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.06 140.21 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' O' ' 10' ' ' TYR . 31.9 mt -137.07 137.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.06 125.65 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.223 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.3 139.48 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.944 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.811 ' HB3' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.01 103.03 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.87 42.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.416 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.1 68.42 80.97 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.9 Cg_endo -67.19 145.01 71.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.414 2.076 . . . . 0.0 111.771 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -131.56 139.03 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.427 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 2' ' ' THR . . . . . 0.412 HG23 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.18 140.26 37.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.56 136.59 48.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.155 0.502 . . . . 0.0 111.363 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 123.95 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.536 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.54 ' HB1' ' HG ' ' P' ' 6' ' ' LEU . . . -140.13 138.91 35.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.167 0.508 . . . . 0.0 111.612 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.811 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.21 6.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.69 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.16 120.91 42.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.606 0.241 . . . . 0.0 110.528 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -130.07 67.45 79.7 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 41.1 Cg_endo -66.19 143.02 69.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.295 1.996 . . . . 0.0 111.629 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -129.26 137.04 50.84 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 111.668 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.495 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.838 0.352 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.07 140.78 38.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.354 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.06 136.27 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.715 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.29 121.58 14.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.602 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.71 139.36 38.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 103.89 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.045 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.84 43.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.69 67.94 79.88 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 40.5 Cg_endo -67.29 145.37 71.81 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.56 2.173 . . . . 0.0 112.117 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.479 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 15.2 m-85 -131.25 142.8 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.664 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.829 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.495 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.777 0.322 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.478 HG23 ' HB ' ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.11 140.64 38.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.362 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.34 136.95 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.455 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.09 16.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.38 35.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.313 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.61 103.79 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.94 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.29 120.96 43.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.371 179.385 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.96 68.41 80.81 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.273 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 42.2 Cg_endo -68.19 145.16 65.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.532 2.155 . . . . 0.0 112.117 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.536 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 14.9 m-85 -131.03 143.81 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.697 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.811 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.476 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.717 0.294 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.498 HG23 ' HB ' ' L' ' 2' ' ' THR . 0.2 OUTLIER -139.26 140.75 37.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -138.01 136.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.391 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 123.4 16.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.34 139.64 35.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.939 0.4 . . . . 0.0 111.308 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.839 ' HB3' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.63 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.963 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.03 120.72 43.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.635 0.255 . . . . 0.0 110.348 179.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -130.23 68.37 81.04 Favored Pre-proline 0 C--O 1.231 0.117 0 CA-C-O 120.75 0.309 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 42.1 Cg_endo -68.02 145.24 66.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.524 2.15 . . . . 0.0 112.15 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 15.8 m-85 -131.34 143.14 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.697 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.45 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.769 0.319 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.52 HG23 ' HB ' ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.39 140.56 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.01 136.95 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.45 123.71 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.346 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 139.47 35.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 0.0 111.363 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.97 103.72 6.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.72 120.67 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.607 0.242 . . . . 0.0 110.48 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.84 68.04 80.18 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.726 0.298 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.57 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 39.4 Cg_endo -67.41 145.21 70.51 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.492 2.128 . . . . 0.0 112.142 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 16.1 m-85 -131.54 143.0 50.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.614 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.45 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.52 ' HB ' HG23 ' L' ' 2' ' ' THR . 0.2 OUTLIER -139.55 140.7 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.508 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mt -138.58 136.94 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.086 0.469 . . . . 0.0 111.457 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 123.73 16.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.136 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.97 139.51 34.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.474 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.838 ' HB3' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 103.65 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.023 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.732 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.38 120.86 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -130.51 68.25 81.21 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.694 0.283 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 41.2 Cg_endo -67.72 145.38 69.21 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.601 2.201 . . . . 0.0 112.179 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 16.0 m-85 -131.7 142.06 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.614 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.446 ' H1 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.72 0.295 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.482 ' HB ' HG23 ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.49 140.75 37.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.559 -179.503 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 36.1 mt -138.85 136.96 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 111.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 122.55 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.322 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.4 139.5 37.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.878 0.371 . . . . 0.0 111.449 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.81 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.74 120.63 42.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.1 67.81 80.19 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.603 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 39.0 Cg_endo -67.36 145.62 72.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.65 2.233 . . . . 0.0 112.214 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.456 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 15.7 m-85 -132.64 142.1 48.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.453 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.84 37.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.558 -179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -139.74 136.63 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.153 0.502 . . . . 0.0 111.617 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 123.65 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.267 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.54 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 0.0 111.391 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.818 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.71 103.88 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.7 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.96 120.63 42.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.633 0.254 . . . . 0.0 110.406 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.88 68.12 80.34 Favored Pre-proline 0 CA--C 1.528 0.12 0 CA-C-O 120.763 0.316 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 40.0 Cg_endo -67.78 145.38 68.79 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.0 m-85 -132.67 141.97 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.672 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.679 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.453 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.57 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.405 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 33.8 mt -137.65 137.53 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 123.08 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.41 139.41 35.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.626 0.251 . . . . 0.0 111.669 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 106.49 8.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.17 120.85 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.49 69.42 82.16 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.2 Cg_endo -68.83 145.17 61.67 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.542 2.161 . . . . 0.0 112.264 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -132.95 142.99 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.3 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.428 ' HB ' HG22 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.18 139.93 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.288 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.55 137.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 126.22 20.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.213 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.588 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.4 139.31 33.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.758 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.13 103.96 6.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.87 43.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.382 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 69.46 80.41 Favored Pre-proline 0 N--CA 1.456 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.633 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -66.91 143.61 67.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.521 2.147 . . . . 0.0 112.0 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' N ' HG21 ' I' ' 2' ' ' THR . 13.8 m-85 -131.95 142.11 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 4.4 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.048 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H1 ' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.768 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.05 140.13 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.351 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.419 HD13 HG21 ' B' ' 3' ' ' ILE . 16.7 mt -136.04 137.28 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.22 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.59 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.31 6.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.757 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.77 42.5 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.35 179.121 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.95 68.54 79.75 Favored Pre-proline 0 N--CA 1.456 -0.155 0 CA-C-O 120.748 0.308 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.633 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.67 145.39 81.41 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.452 ' H ' HG21 ' J' ' 2' ' ' THR . 12.7 m-85 -132.99 139.26 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.515 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.702 0.286 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' THR . . . . . 0.45 ' HB ' HG22 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.25 140.19 37.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.384 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.44 137.16 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 111.163 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 126.54 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.46 33.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.845 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 103.29 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.761 179.643 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.84 120.62 41.36 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.334 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.02 68.75 80.29 Favored Pre-proline 0 C--N 1.333 -0.122 0 CA-C-O 120.725 0.297 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 35.8 Cg_endo -65.47 145.43 82.6 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.474 2.116 . . . . 0.0 112.0 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.462 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.84 138.41 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.779 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.52 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.533 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.59 0.234 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' THR . . . . . 0.469 ' HB ' HG22 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.3 140.15 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.273 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -136.51 137.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 126.39 19.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.549 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.53 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.8 ' HB3' HD11 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.22 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.769 ' HB3' HD11 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.37 120.91 42.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.045 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.52 68.66 80.68 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.683 0.278 . . . . 0.0 110.919 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.45 145.3 82.45 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.149 . . . . 0.0 111.915 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.432 ' H ' HG21 ' L' ' 2' ' ' THR . 12.6 m-85 -132.54 137.44 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.733 0.301 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' THR . . . . . 0.483 ' HB ' HG22 ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.22 140.14 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.239 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.415 HD11 ' HE1' ' M' ' 10' ' ' TYR . 28.3 mt -136.41 136.97 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.008 0.433 . . . . 0.0 111.235 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.29 19.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.25 139.35 33.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.885 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.805 ' HB3' HD11 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.21 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.95 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.91 42.62 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.415 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.34 68.16 79.77 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.983 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.626 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.4 Cg_endo -64.94 145.03 84.75 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.404 2.069 . . . . 0.0 111.867 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -131.72 137.96 48.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.491 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.665 0.269 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 2' ' ' THR . . . . . 0.483 HG22 ' HB ' ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.18 140.14 37.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.226 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.45 HD11 ' HE1' ' N' ' 10' ' ' TYR . 28.2 mt -136.6 137.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 111.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.3 19.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.552 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.43 33.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.803 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.831 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 103.11 6.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.54 121.02 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.65 0.262 . . . . 0.0 110.385 179.186 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 68.12 80.0 Favored Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.1 144.56 82.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.403 2.068 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -130.99 137.46 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.042 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 2.8 t . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.455 ' H1 ' ' HD1' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.814 0.34 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 2' ' ' THR . . . . . 0.471 ' HB ' HG22 ' H' ' 2' ' ' THR . 0.2 OUTLIER -139.2 140.27 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.449 HD11 ' HE1' ' O' ' 10' ' ' TYR . 30.3 mt -136.75 137.03 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 126.26 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.569 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.41 139.3 33.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 111.797 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.831 HD11 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 102.93 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.4 120.92 42.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.654 0.264 . . . . 0.0 110.411 179.092 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.81 68.05 80.15 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.0 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.583 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.3 Cg_endo -65.42 144.84 81.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.412 2.075 . . . . 0.0 111.766 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -130.74 137.25 49.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.201 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 2.1 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.453 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.715 0.293 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 2' ' ' THR . . . . . 0.471 HG22 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.12 140.18 37.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -135.85 136.36 50.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 111.387 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 124.24 17.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.607 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.493 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.19 138.43 35.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.045 0.45 . . . . 0.0 111.612 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.819 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 103.18 6.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.642 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.04 120.92 41.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.376 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.51 68.37 80.26 Favored Pre-proline 0 C--O 1.233 0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.56 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 39.4 Cg_endo -65.75 142.29 69.42 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.45 2.1 . . . . 0.0 111.684 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -127.65 136.89 52.23 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.787 0.327 . . . . 0.0 111.577 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 1.5 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.788 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.453 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.699 0.285 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.471 HG22 ' HB ' ' J' ' 2' ' ' THR . 0.2 OUTLIER -139.22 140.65 37.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.442 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -136.21 136.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.199 0.523 . . . . 0.0 111.752 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.46 122.01 15.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.679 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.47 139.02 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.471 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.851 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.04 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.07 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.61 120.69 41.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.635 0.255 . . . . 0.0 110.329 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.5 68.0 77.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.598 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.9 Cg_endo -66.21 145.32 78.02 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.479 2.119 . . . . 0.0 111.956 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.435 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.8 m-85 -131.09 141.52 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.583 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 1.6 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.453 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.849 0.357 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.493 HG22 ' HB ' ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.24 140.54 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.387 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -136.61 137.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.47 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' B' ' 9' ' ' PRO . . . -140.61 123.48 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.398 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.34 36.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.283 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 103.75 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.047 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.98 120.79 43.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.457 179.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 68.09 78.72 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-O 120.666 0.27 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.616 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.7 Cg_endo -66.89 144.6 71.35 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.515 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.8 m-85 -130.16 142.57 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.583 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.437 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.493 ' HB ' HG22 ' J' ' 2' ' ' THR . 0.2 OUTLIER -139.37 140.55 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.414 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 37.6 mt -137.19 136.91 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.469 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 123.57 16.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.323 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.86 139.37 36.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.25 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.862 ' HB3' HD11 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.81 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.03 120.65 42.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 179.365 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.2 68.18 79.64 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.658 0.266 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.616 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 38.0 Cg_endo -66.63 145.37 75.71 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.396 2.064 . . . . 0.0 112.239 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.533 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 13.4 m-85 -131.19 141.66 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.456 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.75 0.309 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.534 HG22 ' HB ' ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.29 140.67 37.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.383 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -137.2 137.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.71 123.26 16.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.35 36.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 111.25 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 104.27 6.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.65 120.73 42.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.416 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.5 67.99 79.71 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.733 0.302 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.617 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 38.0 Cg_endo -66.64 145.31 75.51 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.481 2.121 . . . . 0.0 112.091 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 13.0 m-85 -130.91 142.39 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.619 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 2.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.456 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.539 HG22 ' HB ' ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.46 140.67 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.435 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 mt -137.7 137.16 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.039 0.447 . . . . 0.0 111.467 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.47 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.351 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.93 139.24 36.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 111.42 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.97 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.37 120.69 42.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.393 179.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.6 68.46 80.48 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.662 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 37.7 Cg_endo -67.02 145.19 72.81 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.408 2.072 . . . . 0.0 112.196 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.491 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.2 m-85 -130.96 141.38 50.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.454 ' HD1' ' H1 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.539 ' HB ' HG22 ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.41 140.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.496 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.1 137.02 44.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.103 0.478 . . . . 0.0 111.462 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.79 122.6 15.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.84 139.41 38.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.375 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.815 ' HB3' HD11 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.01 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.04 120.64 42.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.422 179.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 67.68 79.32 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.707 0.289 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.662 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.66 145.61 82.0 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.542 2.161 . . . . 0.0 112.188 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.45 ' HE1' HD11 ' F' ' 3' ' ' ILE . 13.3 m-85 -131.66 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.51 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.821 0.343 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.54 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.583 -179.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . 0.406 ' HB ' HG12 ' P' ' 3' ' ' ILE . 41.2 mt -138.12 137.05 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 111.504 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.93 122.89 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.311 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 139.39 37.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.85 7.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.51 40.38 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.311 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.31 67.8 79.21 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.566 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 36.8 Cg_endo -65.96 145.75 80.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.081 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.449 ' HE1' HD11 ' G' ' 3' ' ' ILE . 13.7 m-85 -132.37 141.15 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.51 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.61 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.34 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . 0.406 HG12 ' HB ' ' O' ' 3' ' ' ILE . 36.3 mt -137.66 137.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.368 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.24 123.17 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.38 36.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.525 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 109.12 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 179.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.685 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.54 120.62 39.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.412 179.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 69.85 81.74 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.857 0.36 . . . . 0.0 111.016 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.3 Cg_endo -67.41 145.18 70.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.583 2.188 . . . . 0.0 112.078 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -132.9 140.42 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.609 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 4.2 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.35 37.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.15 137.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.85 128.08 22.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.724 ' HB3' ' HG ' ' I' ' 6' ' ' LEU . . . -141.18 139.41 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.6 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 179.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.449 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -128.81 69.41 80.17 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.9 Cg_endo -66.95 143.2 65.24 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.055 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' N ' HG23 ' I' ' 2' ' ' THR . 13.6 m-85 -132.29 142.64 49.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.698 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.525 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.41 37.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.356 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.416 HD11 HG22 ' B' ' 3' ' ' ILE . 19.5 mt -137.59 137.2 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 128.04 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.716 ' HB3' ' HG ' ' J' ' 6' ' ' LEU . . . -141.34 139.23 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.825 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.72 103.0 5.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.86 179.442 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.14 120.71 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -128.9 68.61 79.66 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.642 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.9 Cg_endo -65.18 145.42 84.27 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.346 2.03 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.541 ' N ' HG23 ' J' ' 2' ' ' THR . 12.4 m-85 -133.53 139.18 46.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.54 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.11 37.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.501 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.426 HG22 HD11 ' C' ' 3' ' ' ILE . 21.5 mt -137.48 137.14 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.67 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.686 ' HB3' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.894 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.822 ' HB3' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.09 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.765 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.15 120.72 42.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.23 68.78 80.55 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.681 0.277 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.642 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.2 Cg_endo -65.86 145.45 80.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.413 2.075 . . . . 0.0 112.083 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.481 ' H ' HG23 ' K' ' 2' ' ' THR . 12.4 m-85 -132.89 138.73 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.35 37.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.325 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.426 HD11 HG22 ' D' ' 3' ' ' ILE . 23.0 mt -137.7 137.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.05 127.76 21.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.678 ' HB3' ' HG ' ' L' ' 6' ' ' LEU . . . -141.25 139.26 33.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.811 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.844 ' HB3' HD12 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.01 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.895 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.87 42.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.26 68.56 80.26 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 33.8 Cg_endo -65.21 145.21 83.6 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.41 2.073 . . . . 0.0 111.976 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.433 ' H ' HG23 ' L' ' 2' ' ' THR . 12.2 m-85 -132.6 138.78 47.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.517 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.23 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.441 HD12 ' HE1' ' M' ' 10' ' ' TYR . 26.9 mt -137.52 137.17 45.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 127.81 21.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.291 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.73 ' HB3' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 111.834 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.844 HD12 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.6 103.02 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 121.26 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.79 68.41 80.62 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.8 Cg_endo -65.16 145.26 84.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.391 2.061 . . . . 0.0 111.865 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.467 ' H ' HG23 ' M' ' 2' ' ' THR . 11.7 m-85 -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.95 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.498 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.34 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.307 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.433 HD12 ' HE1' ' N' ' 10' ' ' TYR . 27.6 mt -137.5 137.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.17 127.6 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.356 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.72 ' HB3' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.39 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.844 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.836 HD12 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.48 103.16 6.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.857 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.39 121.21 43.66 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.451 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -129.85 67.92 80.03 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.741 0.305 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.32 144.76 81.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.408 2.072 . . . . 0.0 111.771 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -131.57 139.07 49.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.488 ' HD1' ' H1 ' ' H' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.661 0.267 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.23 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.338 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.436 HD12 ' HE1' ' O' ' 10' ' ' TYR . 29.5 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.247 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 127.53 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.282 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.728 ' HB3' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.4 33.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.4 . . . . 0.0 111.729 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.843 ' HB3' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.29 102.99 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.864 179.557 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.32 120.84 42.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.43 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.9 68.27 80.55 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.8 Cg_endo -66.12 144.49 75.67 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.393 2.062 . . . . 0.0 111.51 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -130.42 139.05 50.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.193 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.888 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.488 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.757 0.313 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.47 37.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.337 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' P' ' 8' ' ' SER . 33.9 mt -137.67 136.63 45.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.25 0.548 . . . . 0.0 111.43 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 126.93 20.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.788 ' HB3' ' HG ' ' P' ' 6' ' ' LEU . . . -140.93 138.53 33.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.626 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.83 103.37 6.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.76 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.28 121.14 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.533 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.95 67.71 79.88 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' O' ' 2' ' ' THR . 37.9 Cg_endo -65.18 143.12 76.6 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.339 2.026 . . . . 0.0 111.56 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -128.83 136.98 51.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.36 . . . . 0.0 111.576 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.815 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.46 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 18.3 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.736 0.303 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.75 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.49 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.02 136.71 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.089 0.471 . . . . 0.0 111.635 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.86 16.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.626 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.8 138.99 38.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.539 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.875 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 104.91 7.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.144 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.06 120.79 41.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.52 0.2 . . . . 0.0 110.493 179.314 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -129.0 68.48 79.87 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.618 0.246 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.562 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.27 145.17 77.25 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.048 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 12.7 m-85 -130.86 142.91 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.469 ' H1 ' ' HD1' ' K' ' 1' ' ' TYR . 17.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.541 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.66 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.358 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -137.7 137.12 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 125.09 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.275 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.41 36.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.926 0.393 . . . . 0.0 111.265 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.897 HD12 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.92 103.89 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.78 120.92 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.44 179.299 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.51 68.09 79.86 Favored Pre-proline 0 C--O 1.232 0.155 0 CA-C-O 120.704 0.288 . . . . 0.0 111.021 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.562 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 38.8 Cg_endo -67.12 145.24 72.37 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.48 2.12 . . . . 0.0 112.173 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.54 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 12.8 m-85 -131.22 144.02 51.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.024 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.469 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 18.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.789 0.328 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.481 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.56 37.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . 0.405 HG22 HD11 ' K' ' 3' ' ' ILE . 32.6 mt -138.02 136.87 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.38 125.92 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.92 139.19 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.335 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.9 HD12 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.87 6.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.081 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.92 43.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.455 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.6 68.43 80.43 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.62 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 38.1 Cg_endo -67.19 145.35 72.35 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.496 2.131 . . . . 0.0 112.048 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.7 m-85 -131.47 142.76 50.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.462 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 18.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.433 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.76 37.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.421 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.408 HG22 HD11 ' L' ' 3' ' ' ILE . 33.9 mt -138.55 136.9 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.58 124.94 17.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.283 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.34 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.9 ' HB3' HD12 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.97 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.951 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.26 120.75 42.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.612 0.244 . . . . 0.0 110.51 179.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -129.34 67.89 79.4 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-O 120.647 0.261 . . . . 0.0 110.98 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.62 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.6 Cg_endo -66.55 145.55 76.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.179 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.517 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.2 m-85 -131.81 142.64 49.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.462 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.467 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.52 140.76 37.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -139.15 136.89 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.086 0.469 . . . . 0.0 111.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 125.14 17.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.241 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.25 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.356 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.88 ' HB3' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.25 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.8 42.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.91 67.88 80.05 Favored Pre-proline 0 CA--C 1.528 0.113 0 CA-C-O 120.765 0.317 . . . . 0.0 110.967 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.656 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.6 Cg_endo -66.02 145.62 80.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.546 2.164 . . . . 0.0 112.14 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 12.4 m-85 -131.5 142.86 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.44 ' H1 ' ' HD1' ' O' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.51 140.78 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.603 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.87 136.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.499 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.76 124.66 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 139.74 36.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.496 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.843 ' HB3' HD12 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.91 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.129 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.62 120.76 42.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -129.87 68.12 80.32 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-O 120.679 0.276 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.656 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -66.22 145.86 79.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.612 2.208 . . . . 0.0 112.202 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.482 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 12.7 m-85 -132.4 142.02 49.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.49 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.76 0.314 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.509 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.38 140.94 37.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.539 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.1 136.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 111.538 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 125.18 17.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.363 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.4 36.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.393 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.826 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 105.12 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.056 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.758 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.87 120.77 41.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.436 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.57 67.74 79.44 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 145.57 81.19 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.508 2.139 . . . . 0.0 112.174 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.436 ' HE1' HD12 ' G' ' 3' ' ' ILE . 12.6 m-85 -132.57 142.51 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.49 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.61 37.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.17 137.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.32 124.12 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.24 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.37 139.37 37.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.657 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.788 ' HG ' ' HB3' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.47 107.78 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.59 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.21 120.99 41.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.485 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.416 ' HB2' HD11 ' H' ' 3' ' ' ILE . 4.9 m -130.61 70.25 82.4 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.052 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.594 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 43.1 Cg_endo -68.07 145.05 65.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.581 2.187 . . . . 0.0 112.144 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -132.81 142.26 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.1 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.401 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mt -138.35 137.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.014 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.84 126.61 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.15 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.62 ' HB2' ' HG ' ' I' ' 6' ' ' LEU . . . -141.43 139.48 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.712 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.85 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.847 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.29 120.88 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.543 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -129.13 69.24 80.92 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-O 120.828 0.347 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.637 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 40.0 Cg_endo -67.44 142.31 59.11 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.512 2.142 . . . . 0.0 112.155 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' N ' HG22 ' I' ' 2' ' ' THR . 13.3 m-85 -132.46 142.08 49.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.406 ' HB2' ' HG1' ' I' ' 2' ' ' THR . 1.3 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.646 0.26 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.29 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.541 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.467 HD12 ' OH ' ' I' ' 10' ' ' TYR . 21.7 mt -138.16 136.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.82 126.54 20.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.37 139.42 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 0.0 111.863 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.36 103.14 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.804 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.875 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.6 41.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.45 179.203 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -129.42 68.78 80.74 Favored Pre-proline 0 C--O 1.232 0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.637 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.2 Cg_endo -66.3 145.23 77.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.535 2.157 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.457 ' N ' HG22 ' J' ' 2' ' ' THR . 12.9 m-85 -134.26 138.87 45.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.748 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.461 ' HB2' ' HG1' ' J' ' 2' ' ' THR . 1.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.556 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.755 0.312 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.358 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.46 HD12 ' OH ' ' J' ' 10' ' ' TYR . 25.8 mt -137.87 137.15 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.64 20.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.301 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.587 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.51 139.57 33.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.961 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.38 102.97 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.797 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.892 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.18 121.03 43.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 179.058 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -129.8 68.61 80.9 Favored Pre-proline 0 C--O 1.231 0.123 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.645 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.87 145.26 79.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.15 . . . . 0.0 112.06 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.408 ' N ' HG22 ' K' ' 2' ' ' THR . 12.5 m-85 -134.3 138.86 45.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.43 ' HB2' ' HG1' ' K' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.555 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.776 0.322 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.15 37.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.467 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.422 HD13 HG21 ' D' ' 3' ' ' ILE . 28.8 mt -138.29 136.54 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.49 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.234 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . . . -141.44 139.51 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.951 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 103.12 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.815 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.25 120.94 42.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.447 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -129.5 68.35 80.23 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.645 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 144.73 78.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.382 2.054 . . . . 0.0 111.868 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.32 138.78 46.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.551 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.12 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.305 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.417 HD12 ' OH ' ' L' ' 10' ' ' TYR . 31.3 mt -138.32 136.72 44.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 126.67 20.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.232 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.62 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.5 139.42 33.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.92 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.772 ' HB3' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.79 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.836 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.854 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.83 42.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.66 0.267 . . . . 0.0 110.488 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.56 68.37 80.32 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.7 Cg_endo -65.99 144.58 76.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.342 2.028 . . . . 0.0 111.951 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.9 138.92 47.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.986 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.81 140.23 38.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.419 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.408 HD13 HG21 ' F' ' 3' ' ' ILE . 31.8 mt -138.62 136.62 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.479 . . . . 0.0 111.238 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.68 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.19 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 0.0 111.816 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.14 103.02 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.724 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.99 42.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.651 0.262 . . . . 0.0 110.399 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.07 67.79 80.14 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.971 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.552 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.9 Cg_endo -65.55 144.85 80.53 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.385 2.056 . . . . 0.0 111.766 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.67 138.91 47.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.938 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 18.5 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.37 37.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.363 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.402 HD12 ' OH ' ' N' ' 10' ' ' TYR . 32.2 mt -138.48 136.78 43.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.247 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.59 20.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.35 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.634 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.29 139.5 33.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 111.884 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 102.99 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.784 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.804 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.84 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.397 179.18 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.32 67.87 80.53 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.497 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.2 Cg_endo -66.37 145.01 76.13 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.349 2.032 . . . . 0.0 111.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.21 138.57 48.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.242 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.51 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.29 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.432 HD12 ' OH ' ' O' ' 10' ' ' TYR . 35.2 mt -138.42 136.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.221 0.534 . . . . 0.0 111.336 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 125.11 18.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.506 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.667 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.31 138.79 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.145 0.498 . . . . 0.0 111.707 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.57 103.22 6.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.682 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.35 120.98 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.469 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.14 67.11 79.35 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.598 ' HB2' HG21 ' O' ' 2' ' ' THR . 37.8 Cg_endo -65.39 142.54 72.83 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.404 2.07 . . . . 0.0 111.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -129.18 138.79 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.812 0.339 . . . . 0.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.896 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.416 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.72 37.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.79 136.42 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.256 0.551 . . . . 0.0 111.618 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 122.03 15.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.635 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.04 139.01 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.0 111.547 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.75 6.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.86 42.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.646 0.26 . . . . 0.0 110.381 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.0 67.88 80.15 Favored Pre-proline 0 CA--C 1.528 0.101 0 CA-C-O 120.718 0.294 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.673 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.49 145.2 76.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.496 2.131 . . . . 0.0 112.164 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.5 m-85 -131.55 142.07 49.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.531 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.829 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.416 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.726 0.298 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.461 ' HG1' ' HB2' ' B' ' 11' ' ' SER . 0.2 OUTLIER -139.28 140.66 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.442 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.3 136.73 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.331 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.8 16.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.455 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.5 139.3 35.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.285 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.91 103.57 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -111.83 120.72 42.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.367 179.501 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.58 67.98 79.79 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.66 0.267 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.673 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 37.3 Cg_endo -66.69 145.21 74.87 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.48 2.12 . . . . 0.0 112.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.556 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.0 m-85 -132.12 142.64 49.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.422 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.764 0.316 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.43 ' HG1' ' HB2' ' C' ' 11' ' ' SER . 0.2 OUTLIER -139.49 140.62 37.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.63 136.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.339 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 123.79 16.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.56 139.5 35.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.903 0.382 . . . . 0.0 111.358 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.76 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.89 43.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.47 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -129.96 67.36 79.44 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.617 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.7 Cg_endo -65.84 145.58 80.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.569 2.179 . . . . 0.0 112.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.6 m-85 -132.69 141.15 48.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.422 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.666 0.269 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.67 37.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.403 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -139.12 136.84 42.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.403 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 123.97 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.202 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.47 139.51 35.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 111.408 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 103.93 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.817 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.3 120.81 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.28 67.78 80.37 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-O 120.677 0.275 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.636 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 37.2 Cg_endo -66.29 145.63 78.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.551 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.9 m-85 -132.88 141.69 48.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.418 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.722 0.296 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.44 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.583 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -139.47 136.82 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 0.0 111.397 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.79 123.65 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.326 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 139.51 36.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.492 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.782 HD12 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.12 103.83 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.831 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.59 120.9 43.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -130.21 67.66 80.13 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.707 0.289 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.636 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.3 Cg_endo -66.08 145.71 79.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.493 2.129 . . . . 0.0 112.152 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.1 m-85 -133.14 141.14 47.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.418 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.723 0.296 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.492 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.62 140.57 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.546 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.13 136.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.062 0.458 . . . . 0.0 111.406 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.88 123.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.282 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.31 139.42 35.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 0.0 111.499 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.782 ' HB3' HD12 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.23 104.08 6.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.84 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.71 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -130.22 67.44 79.86 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.676 0.274 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 36.3 Cg_endo -65.76 145.56 81.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.519 2.146 . . . . 0.0 112.265 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 13.4 m-85 -133.4 140.76 47.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.798 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.417 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.008 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.483 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.762 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.598 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.88 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.714 -179.319 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -140.84 136.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.622 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.59 124.13 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 139.34 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.535 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.764 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.96 6.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.96 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.02 120.51 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.415 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -129.68 67.54 79.31 Favored Pre-proline 0 CA--C 1.528 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.64 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 35.7 Cg_endo -65.66 145.73 82.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.225 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 13.6 m-85 -134.12 141.27 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.483 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.779 0.323 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.7 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.381 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.91 137.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.246 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.4 16.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.57 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 111.695 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.667 ' HG ' ' HB2' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.47 107.07 8.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.814 179.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.397 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -130.56 69.93 82.31 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.581 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.5 Cg_endo -68.18 145.11 65.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.575 2.183 . . . . 0.0 112.253 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -134.27 141.16 46.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.471 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.79 140.13 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.44 HG23 HD13 ' A' ' 3' ' ' ILE . 16.8 mt -139.0 137.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.74 126.33 20.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.676 ' HB2' ' HG ' ' I' ' 6' ' ' LEU . . . -141.29 139.2 33.61 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.62 103.42 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.24 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.723 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.67 120.91 43.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 110.591 179.358 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -129.33 70.42 81.75 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.66 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 41.5 Cg_endo -68.0 143.71 61.22 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.516 2.144 . . . . 0.0 112.085 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.512 ' N ' HG22 ' I' ' 2' ' ' THR . 18.5 m-85 -131.74 140.67 49.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.519 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.428 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.688 0.28 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.98 140.27 38.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.448 HD13 HG23 ' B' ' 3' ' ' ILE . 19.4 mt -138.47 136.9 43.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.052 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.83 125.57 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' J' ' 6' ' ' LEU . . . -140.73 139.41 34.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 111.917 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.764 ' HB3' HD12 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.51 103.3 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.792 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.8 42.02 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.403 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.05 70.12 81.41 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.66 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.3 Cg_endo -66.86 145.46 74.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.44 2.093 . . . . 0.0 112.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.522 ' N ' HG22 ' J' ' 2' ' ' THR . 17.0 m-85 -132.96 140.11 47.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.579 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.494 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.692 0.282 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.3 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.459 HD13 HG23 ' C' ' 3' ' ' ILE . 20.0 mt -138.87 136.86 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.473 . . . . 0.0 111.152 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.58 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.287 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.621 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.36 139.22 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 111.817 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.774 ' HB3' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.752 179.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.745 ' HB3' HD13 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.67 120.75 41.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.454 179.167 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -128.99 69.9 81.2 Favored Pre-proline 0 C--N 1.333 -0.145 0 CA-C-O 120.737 0.303 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.61 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.89 145.16 73.48 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.424 2.083 . . . . 0.0 112.1 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.485 ' N ' HG22 ' K' ' 2' ' ' THR . 17.1 m-85 -132.29 139.19 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.518 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.14 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.46 HD13 HG23 ' D' ' 3' ' ' ILE . 20.6 mt -138.76 136.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 126.28 20.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.245 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.61 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . . . -141.26 139.28 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.774 HD12 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.25 6.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -114.03 120.77 41.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.442 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -129.22 69.55 81.18 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.5 Cg_endo -66.4 145.28 76.79 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG22 ' L' ' 2' ' ' THR . 16.8 m-85 -132.53 137.12 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.917 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.557 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.52 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.649 0.261 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.19 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.404 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' M' ' 8' ' ' SER . 22.2 mt -138.65 136.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 126.07 19.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.231 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.33 139.41 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 111.891 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.812 ' HB3' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.46 103.02 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.851 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.6 120.87 42.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.607 0.241 . . . . 0.0 110.444 179.089 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 13.8 m -129.62 69.94 81.68 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.599 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 38.6 Cg_endo -67.14 145.1 71.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.43 2.086 . . . . 0.0 111.931 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.495 ' H ' HG22 ' M' ' 2' ' ' THR . 16.0 m-85 -131.59 137.31 48.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' SER . . . . . 0.567 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.506 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.767 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.28 37.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.378 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.459 HD13 HG23 ' F' ' 3' ' ' ILE . 24.6 mt -138.96 136.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 126.3 19.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.211 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.624 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.4 139.22 33.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.718 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.847 ' HB3' HD12 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.89 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.805 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD13 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 120.91 42.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.631 0.253 . . . . 0.0 110.487 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -129.81 69.78 81.74 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.599 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.4 Cg_endo -67.0 145.1 72.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.379 2.053 . . . . 0.0 111.913 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.474 ' H ' HG22 ' N' ' 2' ' ' THR . 15.2 m-85 -131.26 137.95 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 3.9 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.56 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.365 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.461 HD11 ' HE1' ' O' ' 10' ' ' TYR . 29.3 mt -138.91 136.87 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.13 19.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.266 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.686 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.36 139.15 33.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 111.863 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.56 102.9 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.796 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.82 121.02 42.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -129.99 69.57 81.8 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 41.8 Cg_endo -67.52 143.35 62.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.381 2.054 . . . . 0.0 111.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -128.79 138.48 52.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.625 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.32 38.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.461 HD13 HG23 ' H' ' 3' ' ' ILE . 29.0 mt -138.74 135.96 43.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.207 0.527 . . . . 0.0 111.464 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 124.76 18.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.611 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.663 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.41 138.21 34.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.635 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.823 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.07 6.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.691 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.5 121.06 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 0.0 110.431 179.259 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -129.76 69.29 81.5 Favored Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 42.2 Cg_endo -67.06 143.61 66.24 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.327 2.018 . . . . 0.0 111.748 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -128.6 137.28 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.605 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.826 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.401 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.1 140.74 38.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.396 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . 0.406 HD13 HG23 ' I' ' 3' ' ' ILE . 31.3 mt -138.85 136.15 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.155 0.503 . . . . 0.0 111.593 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 121.25 14.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.632 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.0 139.05 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.036 0.446 . . . . 0.0 111.525 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.91 6.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.061 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.65 120.82 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.231 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -129.15 68.9 80.65 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 39.3 Cg_endo -67.26 145.02 70.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.561 2.174 . . . . 0.0 112.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.428 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.4 m-85 -129.99 142.34 50.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.135 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.663 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.401 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.699 0.285 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.522 HG22 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.84 37.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.457 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . 0.401 HD13 HG23 ' J' ' 3' ' ' ILE . 31.5 mt -139.2 136.68 41.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.486 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -140.59 123.41 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.44 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.08 35.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 111.377 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.862 HD12 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.95 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.71 120.9 43.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.405 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -129.61 69.35 81.39 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 40.9 Cg_endo -67.96 145.34 67.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.481 2.121 . . . . 0.0 112.153 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 17.6 m-85 -130.58 143.0 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.663 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.805 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.485 HG22 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.38 140.68 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.423 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . 0.404 HD13 HG23 ' K' ' 3' ' ' ILE . 31.7 mt -139.44 136.73 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.52 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.275 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.29 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.344 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.862 ' HB3' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 103.53 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.97 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD13 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.05 120.69 42.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.39 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.426 ' HB3' HD11 ' C' ' 3' ' ' ILE . 8.4 m -129.91 69.38 81.66 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.622 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -68.17 145.33 66.24 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.525 2.15 . . . . 0.0 112.185 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.518 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 17.7 m-85 -130.41 142.73 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.648 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.711 0.291 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.522 HG22 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.46 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.422 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.403 HD13 HG23 ' L' ' 3' ' ' ILE . 31.7 mt -139.56 136.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.414 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.73 123.57 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.368 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.33 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 111.261 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.845 ' HB3' HD12 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.9 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.916 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.737 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.92 120.51 41.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.227 . . . . 0.0 110.5 179.377 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.436 ' HB3' HD11 ' D' ' 3' ' ' ILE . 11.9 m -129.13 68.87 80.59 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.708 0.29 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.63 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 39.0 Cg_endo -67.53 145.49 70.77 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.533 2.155 . . . . 0.0 112.224 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.52 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 17.8 m-85 -131.08 142.12 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.648 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.41 ' H1 ' ' HD1' ' N' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.495 HG22 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.457 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . 0.416 HG23 HD13 ' M' ' 3' ' ' ILE . 32.2 mt -139.84 136.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.357 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.365 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.54 139.24 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.403 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.83 ' HB3' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.93 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD13 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.84 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.449 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.47 ' HB3' HD11 ' E' ' 3' ' ' ILE . 12.4 m -129.6 68.58 80.64 Favored Pre-proline 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.63 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 38.0 Cg_endo -67.22 145.56 72.9 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.674 2.25 . . . . 0.0 112.211 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.506 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -131.32 142.29 50.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' M' M ' 11' ' ' SER . . . . . 0.634 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.41 ' HD1' ' H1 ' ' M' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.718 0.294 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.474 HG22 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.62 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.589 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . 0.414 HG23 HD13 ' N' ' 3' ' ' ILE . 32.6 mt -140.59 136.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.348 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.64 123.23 16.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.218 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.41 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.538 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 104.25 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.978 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.96 120.7 41.54 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.426 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.454 ' HB3' HD11 ' F' ' 3' ' ' ILE . 9.5 m -129.95 68.91 81.44 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.8 Cg_endo -66.98 145.82 75.26 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.664 2.242 . . . . 0.0 112.228 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 17.8 m-85 -131.78 141.12 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.435 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.61 140.93 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . 0.428 HG23 HD13 ' O' ' 3' ' ' ILE . 32.3 mt -141.01 136.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.8 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.275 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 139.29 37.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.751 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.71 6.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD13 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.5 120.53 40.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.442 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.41 ' HB3' HD11 ' G' ' 3' ' ' ILE . 14.9 m -129.68 68.88 81.13 Favored Pre-proline 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.323 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 37.6 Cg_endo -66.92 146.02 76.28 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.194 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.461 ' HE1' HD11 ' G' ' 3' ' ' ILE . 17.7 m-85 -132.29 141.59 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.607 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.435 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.331 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.69 37.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -140.01 137.37 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.373 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.48 122.74 15.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.95 139.04 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.536 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.663 ' HG ' ' HB2' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.74 107.87 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.17 120.67 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.489 179.598 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.455 ' HB3' HD11 ' H' ' 3' ' ' ILE . 13.4 m -129.73 70.94 82.19 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.0 Cg_endo -69.0 145.24 60.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.562 2.175 . . . . 0.0 112.187 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . 0.436 ' HE1' HD11 ' H' ' 3' ' ' ILE . 18.8 m-85 -132.87 141.14 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.677 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.607 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.11 37.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 3' ' ' ILE . 21.8 mt -138.39 137.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.17 128.37 23.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.708 ' HB3' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 138.89 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.7 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.889 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.631 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.61 120.95 43.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.629 0.252 . . . . 0.0 110.614 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -128.61 69.8 79.72 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.715 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.69 141.62 60.73 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.179 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.451 ' N ' HG22 ' I' ' 2' ' ' THR . 11.2 m-85 -132.35 141.9 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.485 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.745 0.307 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.39 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.518 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.453 HD12 HG23 ' B' ' 3' ' ' ILE . 24.7 mt -138.29 137.21 44.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.6 127.89 22.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.307 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.684 ' HB3' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 139.13 33.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.821 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.75 103.48 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.833 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.72 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.385 179.121 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -128.87 69.1 80.21 Favored Pre-proline 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.66 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.724 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.2 Cg_endo -65.37 145.07 82.34 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.517 2.144 . . . . 0.0 112.037 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.449 ' N ' HG22 ' J' ' 2' ' ' THR . 10.6 m-85 -134.8 141.55 46.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.557 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.14 37.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.422 HD12 HG23 ' C' ' 3' ' ' ILE . 26.1 mt -137.96 137.23 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.055 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 128.13 22.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.326 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.646 ' HB3' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.37 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.951 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.28 6.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.856 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.646 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.02 120.71 41.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.434 179.108 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -129.09 68.9 80.59 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.664 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 32.8 Cg_endo -64.5 145.36 87.45 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.511 2.14 . . . . 0.0 112.021 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -134.76 139.5 45.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.648 0.261 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.88 140.41 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.416 HD12 HG23 ' D' ' 3' ' ' ILE . 30.7 mt -138.25 137.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.89 128.47 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.688 ' HB3' ' HG ' ' L' ' 6' ' ' LEU . . . -141.28 138.84 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.857 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.42 6.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.887 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.648 ' HB3' HD11 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -114.35 120.82 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 110.44 179.143 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.3 68.98 80.91 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.664 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -65.37 145.29 82.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.397 2.065 . . . . 0.0 112.056 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.425 ' H ' HG22 ' L' ' 2' ' ' THR . 10.5 m-85 -134.39 138.37 44.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.904 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.745 0.307 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.06 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.316 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.42 HD12 HG23 ' E' ' 3' ' ' ILE . 28.5 mt -138.05 137.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 128.17 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.431 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.667 ' HB3' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.16 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 111.907 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.47 103.63 6.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.3 120.81 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.49 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -129.34 68.59 80.39 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.2 Cg_endo -64.95 145.23 85.15 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.52 2.146 . . . . 0.0 111.878 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -134.19 138.87 45.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.483 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.735 0.303 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.21 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.278 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.43 HD12 HG23 ' F' ' 3' ' ' ILE . 29.0 mt -138.25 137.17 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 127.9 21.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.662 ' HB3' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.385 . . . . 0.0 111.852 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.31 6.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.912 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.8 120.92 42.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.493 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -129.64 68.56 80.65 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.607 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 36.7 Cg_endo -65.21 145.18 83.54 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.443 2.095 . . . . 0.0 111.784 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -133.34 138.76 46.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.476 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.792 0.329 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.19 37.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.439 HG23 HD12 ' G' ' 3' ' ' ILE . 29.6 mt -137.98 137.05 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 127.73 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.721 ' HB3' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 138.94 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.007 0.432 . . . . 0.0 111.695 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.818 ' HB3' HD11 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.77 103.12 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.027 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.93 120.97 42.52 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.474 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 46.5 m -129.66 68.73 80.92 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.758 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.607 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.92 145.04 78.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.363 2.042 . . . . 0.0 111.865 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -132.83 136.9 46.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.178 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.45 ' HB2' ' HG1' ' N' ' 2' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.827 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.476 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.38 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.398 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.42 HD12 HG23 ' H' ' 3' ' ' ILE . 39.2 mt -137.5 136.58 46.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.147 0.499 . . . . 0.0 111.362 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.58 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.646 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.681 ' HB3' ' HG ' ' P' ' 6' ' ' LEU . . . -139.84 137.6 35.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.147 0.498 . . . . 0.0 111.615 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.818 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.72 103.23 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.718 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.66 120.99 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.543 179.263 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 46.4 m -129.62 68.17 80.1 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.572 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.7 Cg_endo -65.23 142.57 74.03 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.425 2.083 . . . . 0.0 111.653 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -129.94 137.18 50.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.88 0.371 . . . . 0.0 111.502 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.582 ' HB2' ' HG1' ' O' ' 2' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.89 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.491 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.752 0.311 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.7 37.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.429 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.79 136.75 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 111.625 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.96 16.02 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.651 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.1 138.83 39.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.568 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.806 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.9 105.45 7.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.121 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.98 120.89 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.646 0.26 . . . . 0.0 110.457 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 51.0 m -129.0 68.19 79.44 Favored Pre-proline 0 C--O 1.231 0.125 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.3 Cg_endo -65.72 145.13 80.39 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.481 2.12 . . . . 0.0 112.067 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.485 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 10.3 m-85 -132.12 142.17 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.422 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.491 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.724 0.297 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.54 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -138.41 137.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.418 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 124.71 17.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.426 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.16 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 111.308 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.847 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 104.46 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.181 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -113.13 120.98 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.487 179.4 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -129.75 68.35 80.49 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 36.5 Cg_endo -65.7 145.38 81.17 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.559 2.173 . . . . 0.0 112.176 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.557 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 10.8 m-85 -133.04 141.99 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.477 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 140.63 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.37 137.09 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 125.1 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.9 139.32 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 111.448 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.847 ' HB3' HD11 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.39 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.041 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.635 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.05 120.66 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.611 0.243 . . . . 0.0 110.474 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -129.62 68.24 80.2 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.623 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 37.2 Cg_endo -66.01 145.49 79.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.559 2.173 . . . . 0.0 112.172 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 10.1 m-85 -133.16 142.35 48.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.818 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.477 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.7 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.735 0.302 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.425 HG22 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.51 37.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.419 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.401 HD12 HG23 ' L' ' 3' ' ' ILE . 38.6 mt -138.88 137.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 111.331 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.55 125.9 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.27 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 104.57 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.626 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.58 41.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.599 0.238 . . . . 0.0 110.43 179.269 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -129.66 68.27 80.28 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.647 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.7 Cg_endo -65.96 145.66 80.47 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.534 2.156 . . . . 0.0 112.312 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 10.7 m-85 -133.43 141.99 48.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.429 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.404 HG21 ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.72 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.491 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -139.9 137.06 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' F' ' 7' ' ' LEU . . . -140.66 125.91 18.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.392 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.24 35.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.458 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.828 ' HB3' HD11 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 104.53 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.62 41.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.569 0.223 . . . . 0.0 110.436 179.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -129.62 68.26 80.22 Favored Pre-proline 0 CA--C 1.528 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.647 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.2 Cg_endo -65.8 145.37 80.59 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.151 . . . . 0.0 112.229 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.483 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 10.7 m-85 -133.76 141.14 47.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.441 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.45 ' HG1' ' HB2' ' G' ' 11' ' ' SER . 0.2 OUTLIER -139.44 140.75 37.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.53 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -140.24 137.12 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.405 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' G' ' 7' ' ' LEU . . . -140.62 125.63 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.35 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.8 139.26 36.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 111.498 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.819 ' HB3' HD11 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.59 104.34 6.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.74 120.64 41.51 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.457 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.78 68.08 80.16 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.625 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 35.6 Cg_endo -65.73 145.61 81.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.555 2.17 . . . . 0.0 112.289 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.73 141.43 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.506 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.582 ' HG1' ' HB2' ' H' ' 11' ' ' SER . 0.2 OUTLIER -139.52 140.75 37.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.647 -179.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -140.32 136.99 37.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.319 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.74 124.73 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.378 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.29 139.05 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.442 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.756 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 106.54 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -115.96 120.43 39.14 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.528 179.364 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -128.83 67.87 78.24 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.766 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.5 Cg_endo -65.36 145.68 83.85 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.581 2.187 . . . . 0.0 112.204 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -134.47 142.01 46.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.696 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . 0.506 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.59 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.452 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt -138.97 137.58 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.28 125.09 18.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.454 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.32 139.16 35.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.616 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.681 ' HG ' ' HB3' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.95 108.08 9.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.633 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.03 120.72 40.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.546 179.465 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -130.01 70.51 82.14 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.8 Cg_endo -67.53 144.68 67.81 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.515 2.143 . . . . 0.0 112.335 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -134.32 141.26 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.54 37.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.5 mt -138.53 137.35 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.26 126.48 21.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.306 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.645 ' HB1' ' HG ' ' I' ' 6' ' ' LEU . . . -141.42 139.57 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.67 6.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.697 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.83 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.55 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -129.02 70.85 81.86 Favored Pre-proline 0 N--CA 1.456 -0.138 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.3 Cg_endo -68.19 144.31 62.41 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.591 2.194 . . . . 0.0 112.127 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' N ' HG23 ' I' ' 2' ' ' THR . 19.7 m-85 -134.0 142.0 47.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.569 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.729 0.3 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.28 37.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.546 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.423 HD13 HG23 ' B' ' 3' ' ' ILE . 27.1 mt -137.9 137.45 44.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.05 19.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.241 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.554 ' HB1' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 140.09 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 111.889 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.881 ' HB3' HD11 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 103.23 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.646 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.7 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.475 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -128.75 70.08 80.45 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.615 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.81 145.21 74.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.425 2.083 . . . . 0.0 112.146 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.494 ' N ' HG23 ' J' ' 2' ' ' THR . 17.4 m-85 -133.88 139.91 46.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.027 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.551 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.44 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.462 HG23 HD13 ' C' ' 3' ' ' ILE . 30.3 mt -137.72 137.3 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.75 126.22 20.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.596 ' HB1' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.79 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 111.944 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.881 HD11 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.2 120.93 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.118 -0.233 . . . . 0.0 110.469 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -129.33 69.91 81.47 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.615 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -66.98 145.2 73.11 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.441 ' N ' HG23 ' K' ' 2' ' ' THR . 17.6 m-85 -133.45 139.01 46.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.595 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.746 0.307 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.11 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.337 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.46 HG23 HD13 ' D' ' 3' ' ' ILE . 28.4 mt -137.68 137.33 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 125.98 19.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.271 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.633 ' HB1' ' HG ' ' L' ' 6' ' ' LEU . . . -141.32 139.68 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.11 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.728 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.07 120.85 42.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.562 0.22 . . . . 0.0 110.541 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.36 69.88 81.47 Favored Pre-proline 0 C--O 1.231 0.105 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 38.0 Cg_endo -66.79 145.46 75.1 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.15 . . . . 0.0 112.116 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.461 ' H ' HG23 ' L' ' 2' ' ' THR . 16.4 m-85 -133.22 137.6 46.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.952 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.521 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.661 0.267 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.48 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.377 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.443 HG23 HD13 ' E' ' 3' ' ' ILE . 34.0 mt -138.04 137.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.68 126.18 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.653 ' HB1' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.55 33.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 111.927 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.16 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.677 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.93 42.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.559 0.219 . . . . 0.0 110.541 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -129.32 69.81 81.4 Favored Pre-proline 0 N--CA 1.456 -0.165 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.99 145.25 73.22 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 111.95 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.425 ' H ' HG23 ' M' ' 2' ' ' THR . 16.9 m-85 -132.89 138.89 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.526 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.39 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.372 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.452 HG23 HD13 ' F' ' 3' ' ' ILE . 35.8 mt -138.08 137.41 44.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 126.12 19.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.252 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.648 ' HB1' ' HG ' ' N' ' 6' ' ' LEU . . . -141.56 139.64 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.911 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.873 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.37 103.01 5.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.785 179.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 121.05 43.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.635 0.255 . . . . 0.0 110.436 179.194 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -129.79 69.42 81.58 Favored Pre-proline 0 N--CA 1.457 -0.113 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.965 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.608 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 38.5 Cg_endo -66.69 145.39 75.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.509 2.139 . . . . 0.0 111.903 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . 0.408 ' H ' HG23 ' N' ' 2' ' ' THR . 16.0 m-85 -132.55 138.12 47.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.035 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.762 0.315 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.33 37.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' O' ' 8' ' ' SER . 42.6 mt -137.78 137.31 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 126.02 19.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.698 ' HB1' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 139.57 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.834 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.894 ' HB3' HD11 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 102.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.7 179.428 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.85 42.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.678 0.275 . . . . 0.0 110.447 179.338 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -129.71 69.85 81.7 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.2 Cg_endo -67.55 145.23 69.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.377 2.051 . . . . 0.0 111.735 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -131.85 138.54 48.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.7 0.286 . . . . 0.0 111.185 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 11' ' ' SER . . . . . 0.465 ' HB2' ' HG1' ' N' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.83 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.714 0.293 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.46 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.446 HD12 ' HH ' ' O' ' 10' ' ' TYR . 41.1 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.49 . . . . 0.0 111.349 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.16 18.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.702 ' HB1' ' HG ' ' P' ' 6' ' ' LEU . . . -141.02 139.06 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 111.693 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.64 103.17 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.579 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.97 120.82 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.481 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -129.67 69.07 81.33 Favored Pre-proline 0 C--O 1.231 0.119 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.726 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.529 ' HB2' HG22 ' O' ' 2' ' ' THR . 42.3 Cg_endo -66.96 143.06 64.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.356 2.038 . . . . 0.0 111.667 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -128.94 138.72 52.15 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.879 0.371 . . . . 0.0 111.533 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 11' ' ' SER . . . . . 0.666 ' HB2' ' HG1' ' O' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.81 140.61 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.398 -179.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . 0.41 HG23 HD13 ' I' ' 3' ' ' ILE . 43.3 mt -137.45 136.99 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.246 0.546 . . . . 0.0 111.566 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 122.26 15.66 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.515 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.5 139.35 36.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.587 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.921 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 104.47 7.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.03 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.0 120.8 41.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.615 0.245 . . . . 0.0 110.5 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 36.4 m -129.3 69.98 81.48 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.547 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 41.6 Cg_endo -67.95 145.43 67.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.462 2.108 . . . . 0.0 112.053 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.569 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.7 m-85 -131.17 141.87 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.194 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.779 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.64 37.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.297 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . 0.411 HG23 HD13 ' J' ' 3' ' ' ILE . 43.9 mt -137.96 137.21 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.457 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.28 123.56 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.32 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.49 139.65 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.944 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 103.91 6.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.964 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.8 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.511 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -129.36 70.3 81.7 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.709 0.29 . . . . 0.0 110.796 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 44.6 Cg_endo -68.92 145.25 61.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.551 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 19.4 m-85 -131.44 142.13 49.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.788 0.327 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.441 HG23 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.85 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.53 137.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.426 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 123.71 16.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.256 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.67 139.6 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.392 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.944 ' HB3' HD11 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.53 103.67 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.664 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.58 120.91 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.464 179.463 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.41 ' HB3' HD11 ' C' ' 3' ' ' ILE . 39.1 m -129.7 69.83 81.68 Favored Pre-proline 0 CA--C 1.528 0.102 0 CA-C-O 120.704 0.288 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 45.5 Cg_endo -68.72 145.36 62.98 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.466 2.111 . . . . 0.0 112.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.595 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 19.7 m-85 -131.81 142.3 49.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.461 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.59 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.448 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.52 137.06 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.474 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 123.72 16.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.285 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.81 139.58 34.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.389 . . . . 0.0 111.456 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.58 104.1 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.898 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.01 120.88 43.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.51 179.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.437 ' HB3' HD11 ' D' ' 3' ' ' ILE . 31.2 m -129.6 69.68 81.54 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 110.778 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 43.2 Cg_endo -68.36 145.3 65.04 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.597 2.198 . . . . 0.0 112.23 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.521 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 18.4 m-85 -132.26 142.17 49.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.425 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.62 37.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -139.76 137.05 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' F' ' 7' ' ' LEU . . . -140.61 123.64 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.181 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.1 139.62 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.926 ' HB3' HD11 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.84 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.69 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.34 120.62 42.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.588 0.233 . . . . 0.0 110.453 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.431 ' HB3' HD11 ' E' ' 3' ' ' ILE . 38.7 m -129.71 69.77 81.66 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.592 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 43.4 Cg_endo -68.25 145.59 66.65 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 112.192 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -132.2 141.86 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.756 0.312 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' G' ' 11' ' ' SER . 0.2 OUTLIER -139.51 140.72 37.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.564 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.77 137.15 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . 0.407 ' HB2' HD11 ' G' ' 7' ' ' LEU . . . -140.81 122.76 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.327 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.35 139.69 37.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.943 0.402 . . . . 0.0 111.472 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.847 HD11 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.82 104.17 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.901 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.669 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.01 120.56 41.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.582 179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.41 ' HB3' HD11 ' F' ' 3' ' ' ILE . 44.8 m -129.5 69.33 81.29 Favored Pre-proline 0 CA--C 1.528 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.554 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 40.6 Cg_endo -67.61 145.85 71.49 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.672 2.248 . . . . 0.0 112.201 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 18.8 m-85 -133.04 141.98 48.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.749 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.666 ' HG1' ' HB2' ' H' ' 11' ' ' SER . 0.2 OUTLIER -139.62 140.74 37.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.608 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.99 137.05 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.55 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' H' ' 7' ' ' LEU . . . -140.55 123.7 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.135 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.7 139.58 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.601 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.847 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.94 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.653 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.51 41.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.649 0.262 . . . . 0.0 110.403 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.438 ' HB3' HD11 ' G' ' 3' ' ' ILE . 39.8 m -129.62 69.67 81.55 Favored Pre-proline 0 CA--C 1.528 0.117 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 39.8 Cg_endo -67.72 145.76 70.49 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . 0.447 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 20.3 m-85 -133.25 142.1 48.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.87 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.434 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mt -139.48 137.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.339 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.05 123.74 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.152 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.54 35.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.605 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.37 107.56 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.638 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.99 120.66 40.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.42 ' HB3' HD11 ' H' ' 3' ' ' ILE . 42.6 m -129.94 71.59 82.14 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.57 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 49.5 Cg_endo -69.41 145.25 58.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.593 2.196 . . . . 0.0 112.173 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -133.91 141.56 47.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 140.35 38.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.355 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.609 HD13 ' HG ' ' I' ' 8' ' ' SER . 24.4 mt -138.86 137.3 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.08 127.27 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' I' ' 6' ' ' LEU . . . -141.49 139.19 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.58 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.951 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.61 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.06 120.86 43.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.418 179.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 69.78 81.47 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.67 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.2 Cg_endo -68.04 141.69 53.87 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.517 2.144 . . . . 0.0 112.148 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.491 ' N ' HG23 ' I' ' 2' ' ' THR . 11.8 m-85 -130.56 142.81 50.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' TYR . . . . . 0.519 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.695 0.283 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.25 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.843 0.354 . . . . 0.0 111.449 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.604 HD13 ' HG ' ' J' ' 8' ' ' SER . 22.6 mt -138.15 136.97 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.5 127.19 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.276 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ALA . . . . . 0.572 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.61 139.5 33.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 111.91 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 102.89 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.928 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.644 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.51 120.68 42.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.78 69.48 81.59 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' PRO . . . . . 0.67 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.2 Cg_endo -66.8 145.05 73.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.341 2.028 . . . . 0.0 112.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . 0.479 ' N ' HG23 ' J' ' 2' ' ' THR . 11.6 m-85 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' SER . . . . . 0.429 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' TYR . . . . . 0.531 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.708 0.29 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . 0.596 HD13 ' HG ' ' K' ' 8' ' ' SER . 26.3 mt -138.25 137.13 44.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.0 126.94 20.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.45 139.41 33.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.367 . . . . 0.0 111.922 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 102.97 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -112.8 120.97 43.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.041 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 68.63 81.07 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' PRO . . . . . 0.646 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.9 144.89 78.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.441 2.094 . . . . 0.0 111.98 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . 0.484 ' H ' HG23 ' K' ' 2' ' ' THR . 11.3 m-85 -132.84 139.61 47.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' TYR . . . . . 0.526 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.31 37.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.344 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.599 HD13 ' HG ' ' L' ' 8' ' ' SER . 24.6 mt -138.25 137.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 126.62 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.256 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' ALA . . . . . 0.564 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.38 139.52 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 111.896 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.16 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.95 121.02 43.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.02 68.61 81.13 Favored Pre-proline 0 C--N 1.333 -0.125 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' PRO . . . . . 0.646 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -66.08 144.98 77.8 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.414 2.076 . . . . 0.0 111.95 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . 0.48 ' H ' HG23 ' L' ' 2' ' ' THR . 11.2 m-85 -132.32 139.59 48.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 1' ' ' TYR . . . . . 0.503 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.25 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.384 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . 0.549 HD13 ' HG ' ' M' ' 8' ' ' SER . 32.2 mt -138.18 137.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 126.92 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.45 139.4 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.872 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' LEU . . . . . 0.759 ' HB3' HD11 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.2 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.891 179.633 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.27 120.85 42.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.015 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.19 68.81 81.54 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.61 145.06 74.85 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.374 2.049 . . . . 0.0 111.828 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . 0.428 ' H ' HG23 ' M' ' 2' ' ' THR . 10.5 m-85 -132.11 139.21 48.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 1' ' ' TYR . . . . . 0.51 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.707 0.289 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.2 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . 0.573 HD13 ' HG ' ' N' ' 8' ' ' SER . 28.4 mt -138.14 137.16 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.95 126.52 20.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 5' ' ' ALA . . . . . 0.559 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.39 33.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 111.834 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.14 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.007 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' F' F ' 7' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.06 120.82 42.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 69.05 81.89 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 9' ' ' PRO . . . . . 0.514 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 41.6 Cg_endo -67.24 145.1 71.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.362 2.041 . . . . 0.0 111.681 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -131.69 140.01 49.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.04 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 1' ' ' TYR . . . . . 0.473 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.71 0.29 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.08 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.363 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 3' ' ' ILE . . . . . 0.577 HD13 ' HG ' ' O' ' 8' ' ' SER . 28.6 mt -138.33 137.12 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.042 0.449 . . . . 0.0 111.25 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.13 126.69 20.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.304 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 5' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.4 139.24 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 6' ' ' LEU . . . . . 0.782 ' HB3' HD11 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 103.42 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.891 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' G' G ' 7' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.91 42.56 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.365 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 67.9 80.35 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.045 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 9' ' ' PRO . . . . . 0.514 ' HG2' ' HB3' ' F' ' 9' ' ' PRO . 39.1 Cg_endo -66.25 144.64 75.44 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.39 2.06 . . . . 0.0 111.591 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -130.93 139.99 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.883 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 3' ' ' ILE . . . . . 0.542 HD13 ' HG ' ' P' ' 8' ' ' SER . 30.9 mt -137.55 136.53 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.15 0.5 . . . . 0.0 111.371 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.88 125.64 19.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.514 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 5' ' ' ALA . . . . . 0.584 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -141.18 138.87 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.698 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.782 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.81 103.12 6.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.833 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' H' H ' 7' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.357 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 68.11 80.81 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.783 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 9' ' ' PRO . . . . . 0.556 ' HB2' HG22 ' O' ' 2' ' ' THR . 42.2 Cg_endo -66.65 142.72 65.33 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.34 2.027 . . . . 0.0 111.587 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -128.28 139.52 52.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.887 0.375 . . . . 0.0 111.569 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.877 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 1' ' ' TYR . . . . . 0.47 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.729 0.3 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 2' ' ' THR . . . . . 0.491 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.32 140.68 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 -179.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -137.98 136.78 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 111.628 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.56 121.63 14.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.64 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.08 139.24 39.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 111.517 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 6' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.73 104.9 7.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.219 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' I' I ' 7' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.72 120.89 42.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.609 ' HG ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -129.9 68.23 80.5 Favored Pre-proline 0 C--O 1.231 0.107 0 CA-C-O 120.672 0.272 . . . . 0.0 110.928 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' I' I ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.5 Cg_endo -66.63 145.08 74.79 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.415 2.077 . . . . 0.0 112.059 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . 0.519 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 11.1 m-85 -130.55 143.39 50.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 11' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 1' ' ' TYR . . . . . 0.47 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.794 0.33 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 2' ' ' THR . . . . . 0.479 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.67 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.431 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 3' ' ' ILE . . . . . 0.404 HG22 HD13 ' J' ' 3' ' ' ILE . 34.0 mt -138.5 137.11 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 124.04 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.344 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.08 139.43 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 111.289 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 104.22 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 7' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.2 120.8 43.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.386 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.604 ' HG ' HD13 ' B' ' 3' ' ' ILE . 0.1 OUTLIER -130.49 68.72 81.74 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.669 0.271 . . . . 0.0 110.999 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 9' ' ' PRO . . . . . 0.573 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 41.0 Cg_endo -67.76 145.29 68.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.546 2.164 . . . . 0.0 112.073 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . 0.531 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 11.0 m-85 -130.89 144.37 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 11' ' ' SER . . . . . 0.446 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 1' ' ' TYR . . . . . 0.47 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 2' ' ' THR . . . . . 0.484 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.482 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' K' K ' 3' ' ' ILE . . . . . 0.415 HG22 HD13 ' K' ' 3' ' ' ILE . 34.8 mt -138.82 137.08 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.369 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.97 16.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.46 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 6' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.06 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' K' K ' 7' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.87 120.79 43.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.474 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' K' K ' 8' ' ' SER . . . . . 0.596 ' HG ' HD13 ' C' ' 3' ' ' ILE . 0.1 OUTLIER -130.24 68.77 81.55 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.695 0.283 . . . . 0.0 110.96 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' K' K ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -67.84 145.38 68.43 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.472 2.115 . . . . 0.0 112.102 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 11.1 m-85 -131.07 143.1 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.182 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 11' ' ' SER . . . . . 0.494 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 2' ' ' THR . . . . . 0.48 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.64 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' L' L ' 3' ' ' ILE . . . . . 0.417 HG22 HD13 ' L' ' 3' ' ' ILE . 34.8 mt -139.05 137.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.375 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.78 123.98 16.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.98 139.43 36.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.805 ' HB3' HD11 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 104.21 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' L' L ' 7' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.08 120.96 43.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.361 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' L' L ' 8' ' ' SER . . . . . 0.599 ' HG ' HD13 ' D' ' 3' ' ' ILE . 0.1 OUTLIER -130.3 67.65 80.23 Favored Pre-proline 0 CA--C 1.529 0.136 0 CA-C-O 120.624 0.249 . . . . 0.0 110.98 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' L' L ' 9' ' ' PRO . . . . . 0.61 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.5 Cg_endo -66.55 145.59 76.88 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.566 2.177 . . . . 0.0 112.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 10' ' ' TYR . . . . . 0.503 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 11.2 m-85 -132.05 143.53 50.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 11' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' M' M ' 1' ' ' TYR . . . . . 0.41 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 2' ' ' THR . . . . . 0.428 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.72 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.395 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.0 137.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.125 0.488 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.74 124.57 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.3 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.45 139.58 35.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.281 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' M' M ' 6' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 104.01 6.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' M' M ' 7' ' ' LEU . . . . . 0.615 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.35 120.67 42.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' M' M ' 8' ' ' SER . . . . . 0.549 ' HG ' HD13 ' E' ' 3' ' ' ILE . 0.1 OUTLIER -130.56 68.69 81.77 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.055 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' M' M ' 9' ' ' PRO . . . . . 0.605 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 38.2 Cg_endo -67.23 145.64 73.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.575 2.183 . . . . 0.0 112.14 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' M' M ' 10' ' ' TYR . . . . . 0.51 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 11.2 m-85 -131.93 143.2 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 1' ' ' TYR . . . . . 0.45 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 2' ' ' THR . . . . . 0.439 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.64 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.564 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' N' N ' 3' ' ' ILE . . . . . 0.424 HG22 HD13 ' N' ' 3' ' ' ILE . 35.9 mt -140.28 137.06 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.114 0.483 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 124.36 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.09 139.44 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 111.377 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' N' N ' 6' ' ' LEU . . . . . 0.786 ' HB3' HD11 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 104.67 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' N' N ' 7' ' ' LEU . . . . . 0.592 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.65 41.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' N' N ' 8' ' ' SER . . . . . 0.573 ' HG ' HD13 ' F' ' 3' ' ' ILE . 0.1 OUTLIER -129.95 67.72 79.9 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' N' N ' 9' ' ' PRO . . . . . 0.605 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.1 Cg_endo -66.36 145.48 77.67 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.093 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 10' ' ' TYR . . . . . 0.445 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 11.4 m-85 -132.21 142.94 49.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' N' N ' 11' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' O' O ' 1' ' ' TYR . . . . . 0.45 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.736 0.303 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 2' ' ' THR . . . . . 0.556 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.76 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.732 -179.434 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mt -141.2 136.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.087 0.47 . . . . 0.0 111.515 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 124.42 17.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.392 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.51 36.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.444 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 6' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.0 104.69 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.068 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' O' O ' 7' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.29 120.63 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.601 0.239 . . . . 0.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' O' O ' 8' ' ' SER . . . . . 0.577 ' HG ' HD13 ' G' ' 3' ' ' ILE . 0.1 OUTLIER -130.05 68.21 80.65 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' O' O ' 9' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 37.2 Cg_endo -66.6 145.62 76.74 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.594 2.196 . . . . 0.0 112.018 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.77 142.74 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' O' O ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.77 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.368 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.23 137.51 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.16 123.72 17.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.302 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.83 139.35 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.695 0.283 . . . . 0.0 111.52 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 6' ' ' LEU . . . . . 0.69 ' HB3' HD11 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 107.21 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 7' ' ' LEU . . . . . 0.558 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.26 120.71 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.458 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 8' ' ' SER . . . . . 0.542 ' HG ' HD13 ' H' ' 3' ' ' ILE . 0.1 OUTLIER -130.75 70.2 82.48 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 46.9 Cg_endo -68.9 145.17 61.29 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.557 2.172 . . . . 0.0 112.14 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -132.8 143.13 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.45 38.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.374 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.5 mt -139.08 134.28 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.02 119.19 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.402 ' HB1' HD22 ' I' ' 6' ' ' LEU . . . -142.34 137.9 30.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.242 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.39 136.51 48.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.26 121.42 15.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -123.54 70.94 47.09 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.923 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.621 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.4 Cg_endo -66.53 141.64 61.79 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.62 2.213 . . . . 0.0 112.002 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' N ' HG22 ' I' ' 2' ' ' THR . 8.2 m-85 -133.72 140.97 47.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 23.0 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.49 37.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.515 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.434 HD13 ' OH ' ' I' ' 10' ' ' TYR . 32.6 mt -138.34 134.87 44.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.29 118.86 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.862 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.474 ' HB1' HD22 ' J' ' 6' ' ' LEU . . . -142.52 137.79 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.294 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.6 136.5 47.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.819 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.804 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.17 121.25 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.769 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -123.48 70.63 45.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.865 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.664 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.1 Cg_endo -64.43 145.41 87.88 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.353 2.035 . . . . 0.0 111.916 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.509 ' N ' HG22 ' J' ' 2' ' ' THR . 7.0 m-85 -136.73 138.41 40.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.514 ' HB2' ' HG1' ' J' ' 2' ' ' THR . 18.0 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.557 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.48 37.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.451 HD13 ' OH ' ' J' ' 10' ' ' TYR . 37.0 mt -138.39 134.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.35 118.91 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.003 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.484 ' HB1' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.14 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.693 0.282 . . . . 0.0 111.271 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.67 136.55 47.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.83 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.831 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.39 14.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.726 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 69.96 49.14 Favored Pre-proline 0 C--O 1.233 0.187 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.904 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.712 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.1 Cg_endo -64.79 144.43 83.53 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.44 ' N ' HG22 ' K' ' 2' ' ' THR . 7.4 m-85 -134.81 140.01 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.584 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 17.3 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.542 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.724 0.297 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.491 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.432 HD13 ' OH ' ' K' ' 10' ' ' TYR . 40.7 mt -138.17 134.63 44.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.38 118.87 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.864 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.558 ' HB1' HD22 ' L' ' 6' ' ' LEU . . . -142.41 137.61 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.701 0.286 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.39 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.725 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.831 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.34 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.758 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -124.3 70.19 52.83 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.929 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.712 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 33.2 Cg_endo -64.82 144.99 85.23 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.263 1.976 . . . . 0.0 111.956 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.413 ' N ' HG22 ' L' ' 2' ' ' THR . 7.0 m-85 -134.99 138.48 44.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.584 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 13.2 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.25 37.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.419 HD13 ' OH ' ' L' ' 10' ' ' TYR . 40.6 mt -138.08 134.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.25 118.75 11.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.798 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' M' ' 6' ' ' LEU . . . -142.62 137.64 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.57 48.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.794 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.49 121.47 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m -124.08 69.62 49.38 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.618 0.246 . . . . 0.0 111.029 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.644 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 31.2 Cg_endo -64.22 145.1 88.33 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.351 2.034 . . . . 0.0 111.718 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.48 138.61 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.638 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 10.7 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.563 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.658 0.266 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 139.98 37.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -137.82 134.32 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.57 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.606 ' HB1' HD22 ' N' ' 6' ' ' LEU . . . -142.58 137.74 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.5 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.735 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.5 121.35 14.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.24 69.46 50.61 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.644 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 32.8 Cg_endo -64.34 144.95 87.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.356 2.038 . . . . 0.0 111.652 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -134.74 138.01 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.638 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 13.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.485 ' HD1' ' H2 ' ' H' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.2 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.528 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -137.69 133.99 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.38 118.72 11.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.819 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.635 ' HB1' HD22 ' O' ' 6' ' ' LEU . . . -142.61 137.88 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.764 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.747 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.33 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.872 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.38 69.75 52.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-O 120.631 0.253 . . . . 0.0 111.046 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.597 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -65.26 143.24 76.5 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.342 2.028 . . . . 0.0 111.544 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -132.67 139.41 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 14.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.485 ' H2 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.2 38.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.339 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 mt -137.37 133.25 46.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.244 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.15 118.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.669 ' HB1' HD22 ' P' ' 6' ' ' LEU . . . -142.68 138.11 30.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.13 47.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.03 121.42 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.56 69.5 54.05 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.561 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.0 Cg_endo -64.81 141.84 73.48 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.359 2.039 . . . . 0.0 111.601 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.08 136.02 48.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.913 0.387 . . . . 0.0 111.559 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 9.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.854 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.79 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.381 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.8 mt -139.89 134.01 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.115 0.483 . . . . 0.0 111.715 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.415 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -141.06 119.39 12.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.851 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.67 138.27 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.488 HD22 HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.46 135.85 47.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.773 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.1 121.1 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.453 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 21.1 m -124.15 69.64 50.07 Favored Pre-proline 0 C--O 1.232 0.139 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.629 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.5 Cg_endo -64.76 144.72 84.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.316 2.011 . . . . 0.0 112.014 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.5 m-85 -132.66 142.14 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.289 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.758 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.722 0.296 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.514 ' HG1' ' HB2' ' B' ' 11' ' ' SER . 0.2 OUTLIER -139.21 140.36 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 111.425 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -139.13 134.65 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.269 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.526 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -141.33 119.54 12.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.582 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.91 138.32 31.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.647 0.261 . . . . 0.0 111.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.556 HD22 HD22 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.39 48.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.854 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.773 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 120.93 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -124.22 70.08 51.8 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.612 0.244 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.642 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 35.7 Cg_endo -65.69 144.72 79.16 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.366 2.044 . . . . 0.0 112.098 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.557 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.4 m-85 -133.26 142.28 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.4 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.503 ' H2 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.768 0.318 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.495 ' HG1' ' HB2' ' C' ' 11' ' ' SER . 0.2 OUTLIER -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.447 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.09 135.15 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.553 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -141.59 119.36 11.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 137.81 31.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.567 HD22 HD22 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.26 136.33 48.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.879 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.04 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.667 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 18.6 m -124.59 69.57 54.45 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.673 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 33.9 Cg_endo -65.29 145.13 82.96 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.45 2.1 . . . . 0.0 112.051 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.3 m-85 -133.96 141.86 47.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.703 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 12.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.503 ' HD1' ' H2 ' ' K' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.761 0.315 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.413 HG22 ' N ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.46 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.444 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -139.58 135.15 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.284 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.5 119.6 12.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.772 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -141.9 137.95 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.694 0.283 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.558 HD22 ' HB1' ' D' ' 5' ' ' ALA . 0.6 OUTLIER -131.28 136.31 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.799 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.93 120.92 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -124.38 69.87 53.04 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.673 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.6 Cg_endo -65.29 145.15 82.99 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.485 2.123 . . . . 0.0 112.174 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.4 m-85 -134.33 141.64 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.703 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.425 ' H2 ' ' HD1' ' N' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.51 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.536 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.01 135.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.309 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.529 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.5 119.44 11.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.691 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.03 137.82 31.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.678 0.275 . . . . 0.0 111.258 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.586 HD22 ' HB1' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.41 136.55 48.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.971 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.718 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.81 120.91 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.724 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -124.45 69.56 53.04 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.854 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.3 Cg_endo -65.06 145.15 84.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.459 2.106 . . . . 0.0 112.052 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.563 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.8 m-85 -134.37 141.24 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.654 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 16.4 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.425 ' HD1' ' H2 ' ' M' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.409 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.37 140.73 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.431 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -140.58 135.43 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.088 0.47 . . . . 0.0 111.376 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.5 119.46 11.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.08 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.59 0.233 . . . . 0.0 111.332 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.606 HD22 ' HB1' ' F' ' 5' ' ' ALA . 0.6 OUTLIER -131.28 136.24 47.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.95 13.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.687 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -124.34 69.31 51.36 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.655 0.264 . . . . 0.0 110.797 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 32.2 Cg_endo -64.7 145.68 87.18 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.46 2.107 . . . . 0.0 112.035 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.453 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.8 m-85 -134.97 141.2 46.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 17.6 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.453 ' H2 ' ' HD1' ' P' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.724 0.297 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.516 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.25 140.7 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.658 -179.373 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mt -141.11 135.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.527 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.62 119.46 11.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.763 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.22 137.55 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 0.0 111.263 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.635 HD22 ' HB1' ' G' ' 5' ' ' ALA . 0.5 OUTLIER -131.33 136.31 47.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.91 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.685 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -124.45 69.53 52.95 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.722 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.0 Cg_endo -64.84 145.45 86.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.512 2.141 . . . . 0.0 112.17 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -135.57 141.54 45.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.603 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 19.4 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.453 ' HD1' ' H2 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.55 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.433 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 mt -139.84 136.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.225 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.31 119.6 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 137.37 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.583 0.23 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.669 HD22 ' HB1' ' H' ' 5' ' ' ALA . 0.5 OUTLIER -131.04 136.37 48.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.702 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.18 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 17.2 m -125.14 71.17 62.82 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.722 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.5 Cg_endo -66.28 144.6 75.11 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -135.27 140.57 45.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.587 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 20.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.2 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.3 mt -139.3 133.57 39.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.5 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.94 119.35 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.799 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.535 ' HB2' HD21 ' I' ' 6' ' ' LEU . . . -141.86 137.69 31.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.84 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.43 121.45 15.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -123.64 70.41 46.74 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.901 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.698 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -65.99 142.08 66.98 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.544 2.163 . . . . 0.0 112.181 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.57 ' N ' HG21 ' I' ' 2' ' ' THR . 7.1 m-85 -134.67 141.06 46.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.568 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.3 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.44 HD11 ' OH ' ' I' ' 10' ' ' TYR . 38.0 mt -138.48 134.48 43.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.28 118.9 11.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.651 ' HB2' HD21 ' J' ' 6' ' ' LEU . . . -142.34 137.09 30.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.265 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.45 136.51 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.28 121.13 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.41 70.18 43.93 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.626 0.251 . . . . 0.0 110.936 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.707 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 30.7 Cg_endo -64.28 145.18 88.19 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.339 2.026 . . . . 0.0 112.135 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.594 ' N ' HG21 ' J' ' 2' ' ' THR . 6.8 m-85 -136.66 140.14 42.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.422 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.6 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.562 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.701 0.286 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.34 37.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.459 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.406 HD11 ' OH ' ' J' ' 10' ' ' TYR . 41.0 mt -138.43 134.16 43.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.036 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.566 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.93 11.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.747 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' K' ' 6' ' ' LEU . . . -142.48 137.03 30.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 0.0 111.258 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.24 136.33 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.76 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.4 14.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.58 69.73 44.53 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-O 120.666 0.27 . . . . 0.0 111.069 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.707 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 30.5 Cg_endo -63.87 144.88 89.58 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.325 2.017 . . . . 0.0 111.895 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.556 ' N ' HG21 ' K' ' 2' ' ' THR . 6.4 m-85 -136.3 139.57 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.848 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.564 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.809 0.337 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.38 140.23 37.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.401 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 mt -138.35 134.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.34 118.73 11.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.736 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.688 ' HB2' HD21 ' L' ' 6' ' ' LEU . . . -142.47 137.14 30.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.676 0.275 . . . . 0.0 111.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.3 136.39 48.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.789 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.41 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -123.7 69.6 45.42 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.648 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 32.2 Cg_endo -64.46 144.65 85.94 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.336 2.024 . . . . 0.0 111.843 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.515 ' N ' HG21 ' L' ' 2' ' ' THR . 6.1 m-85 -135.17 139.79 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.991 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.493 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.497 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.647 0.26 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.27 37.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.19 134.35 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.47 118.96 11.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.864 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.725 ' HB2' HD21 ' M' ' 6' ' ' LEU . . . -142.44 137.12 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.693 0.282 . . . . 0.0 111.337 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.48 47.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.789 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.55 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 43.1 m -123.87 69.35 46.55 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.969 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.634 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 32.0 Cg_endo -64.03 144.59 87.99 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.331 2.021 . . . . 0.0 111.748 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.54 ' H ' HG21 ' M' ' 2' ' ' THR . 6.0 m-85 -135.34 138.09 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.493 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.507 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.675 0.274 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.15 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -138.06 133.83 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.45 118.66 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.748 ' HB2' HD21 ' N' ' 6' ' ' LEU . . . -142.66 137.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.272 . . . . 0.0 111.297 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.63 48.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.825 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.39 14.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.874 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -124.12 69.26 48.93 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.64 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 30.2 Cg_endo -63.7 144.98 90.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.823 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.585 ' H ' HG21 ' N' ' 2' ' ' THR . 6.0 m-85 -135.56 137.89 42.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.184 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.591 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.816 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.47 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.725 0.298 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.14 37.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -138.05 133.78 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -141.38 118.76 11.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.86 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.742 ' HB2' HD21 ' O' ' 6' ' ' LEU . . . -142.69 137.3 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.662 0.267 . . . . 0.0 111.375 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.58 48.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.709 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.53 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -124.25 68.81 49.18 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 31.6 Cg_endo -63.71 144.7 89.92 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.372 2.048 . . . . 0.0 111.548 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.497 ' H ' HG21 ' O' ' 2' ' ' THR . 5.6 m-85 -134.74 139.3 45.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.031 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.591 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.977 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.697 0.284 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 139.89 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.399 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -137.42 133.02 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.313 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.94 118.52 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' P' ' 6' ' ' LEU . . . -142.69 137.66 30.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.462 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.27 47.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.867 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.641 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.52 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.721 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.46 68.09 49.48 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.979 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.476 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.5 Cg_endo -63.42 142.55 85.62 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.339 2.026 . . . . 0.0 111.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -132.1 137.22 47.65 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.542 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.492 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.57 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -139.77 134.11 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.097 0.475 . . . . 0.0 111.546 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.32 119.5 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.819 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.65 137.8 32.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.535 HD21 ' HB2' ' A' ' 5' ' ' ALA . 0.5 OUTLIER -131.55 136.26 47.69 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.028 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.31 120.93 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.433 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.69 68.71 43.07 Favored Pre-proline 0 C--O 1.232 0.162 0 CA-C-O 120.561 0.22 . . . . 0.0 110.821 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.4 Cg_endo -63.72 145.03 90.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.372 2.048 . . . . 0.0 112.053 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 6.3 m-85 -133.41 141.86 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.614 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.594 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.68 37.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -139.31 134.71 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.329 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.85 12.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.659 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.7 137.76 31.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.197 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.651 HD21 ' HB2' ' B' ' 5' ' ' ALA . 0.5 OUTLIER -131.33 136.33 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.804 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.08 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 49.3 m -124.3 69.18 50.61 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-O 120.657 0.265 . . . . 0.0 110.925 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.661 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 31.9 Cg_endo -64.77 145.21 85.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.507 2.138 . . . . 0.0 112.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.562 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.4 m-85 -134.57 141.71 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.727 0.299 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.556 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.55 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.327 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.61 135.16 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.371 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.78 119.59 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.657 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.76 137.51 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.661 0.267 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' C' ' 5' ' ' ALA . 0.6 OUTLIER -131.32 136.42 48.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.98 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -124.49 68.78 51.61 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 120.614 0.245 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 31.4 Cg_endo -64.48 145.41 87.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.431 2.087 . . . . 0.0 112.178 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.564 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 6.9 m-85 -134.45 141.74 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.623 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 6.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.685 0.278 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.515 HG21 ' N ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.7 140.48 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.365 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -139.76 135.46 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.64 119.68 12.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.01 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.671 0.272 . . . . 0.0 111.183 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.688 HD21 ' HB2' ' D' ' 5' ' ' ALA . 0.6 OUTLIER -131.46 136.25 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.887 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.89 121.02 13.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.17 68.7 48.11 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.93 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.709 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.19 145.21 88.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.45 2.1 . . . . 0.0 112.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.497 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.0 m-85 -134.58 141.77 46.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 7.1 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.71 0.29 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.54 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.59 140.32 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.481 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 mt -139.74 135.28 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.65 119.6 11.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.723 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.08 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.601 0.238 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.39 136.38 47.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.899 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.68 13.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -123.95 68.69 45.78 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.71 0.291 . . . . 0.0 110.879 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.709 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 30.6 Cg_endo -64.16 145.33 88.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.601 2.201 . . . . 0.0 112.193 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.507 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.0 m-85 -135.21 141.14 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.544 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.799 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.585 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.51 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.43 135.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.54 119.67 12.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.652 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.614 0.245 . . . . 0.0 111.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.748 HD21 ' HB2' ' F' ' 5' ' ' ALA . 0.5 OUTLIER -131.56 136.43 47.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.66 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.81 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.728 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -124.2 68.77 48.63 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.665 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.16 145.75 89.57 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.557 2.171 . . . . 0.0 112.118 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.47 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.1 m-85 -135.83 140.72 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.505 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.497 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.5 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.3 135.29 31.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.105 0.479 . . . . 0.0 111.439 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.61 119.64 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.712 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.9 137.18 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.742 HD21 ' HB2' ' G' ' 5' ' ' ALA . 0.5 OUTLIER -131.56 136.27 47.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.877 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.88 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 49.6 m -124.49 68.7 51.46 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.677 0.275 . . . . 0.0 110.887 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.719 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.2 Cg_endo -64.39 145.4 88.03 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.46 2.107 . . . . 0.0 112.223 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.5 141.38 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.5 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.76 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.529 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -140.7 135.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.35 119.73 12.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.48 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.569 0.224 . . . . 0.0 111.317 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' H' ' 5' ' ' ALA . 0.6 OUTLIER -131.47 136.52 48.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.678 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.16 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 47.0 m -124.93 70.44 59.72 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.719 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.3 Cg_endo -65.69 145.04 80.31 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.598 2.199 . . . . 0.0 112.375 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -136.17 141.14 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.498 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.685 0.279 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.409 ' HB ' HG21 ' B' ' 2' ' ' THR . 0.2 OUTLIER -138.96 140.24 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.58 133.36 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.92 118.98 11.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.24 31.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.15 136.58 48.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.69 121.33 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -123.81 70.42 48.48 Favored Pre-proline 0 C--O 1.232 0.154 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.687 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.8 Cg_endo -66.58 142.0 62.96 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.172 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.577 ' N ' HG23 ' I' ' 2' ' ' THR . 9.7 m-85 -134.68 140.58 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.6 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.739 0.304 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.409 HG21 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.406 -179.733 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.558 HD12 ' HH ' ' I' ' 10' ' ' TYR . 39.4 mt -138.06 133.92 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.366 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.3 118.98 11.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.837 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.44 138.15 30.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.414 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.21 136.65 48.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.717 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.99 121.16 14.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -123.76 70.27 47.68 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.687 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.8 Cg_endo -65.24 144.74 82.06 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.216 1.944 . . . . 0.0 112.106 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.521 ' N ' HG23 ' J' ' 2' ' ' THR . 9.1 m-85 -136.56 139.43 42.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.802 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.582 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.685 0.279 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' THR . . . . . 0.41 ' HB ' HG21 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.14 140.13 37.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.318 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.577 HD12 ' HH ' ' J' ' 10' ' ' TYR . 40.8 mt -137.79 133.63 45.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.83 11.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.714 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.39 138.35 31.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.651 0.262 . . . . 0.0 111.332 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 136.64 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.19 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.735 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -123.9 69.67 47.69 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.701 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.7 Cg_endo -64.98 144.86 84.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.387 2.058 . . . . 0.0 112.071 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.466 ' H ' HG23 ' K' ' 2' ' ' THR . 8.7 m-85 -135.86 139.35 43.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.552 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' THR . . . . . 0.423 ' HB ' HG21 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.1 140.32 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.256 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.539 HD12 ' HH ' ' K' ' 10' ' ' TYR . 40.8 mt -138.14 133.9 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.992 0.425 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.39 118.84 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.46 138.14 30.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.348 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.63 48.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.763 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.79 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.43 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -123.95 69.35 47.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.968 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.701 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 35.4 Cg_endo -65.17 143.82 79.16 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.366 2.044 . . . . 0.0 111.912 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.442 ' H ' HG23 ' L' ' 2' ' ' THR . 8.5 m-85 -134.59 138.91 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.524 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' THR . . . . . 0.423 HG21 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.35 140.32 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.349 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.525 HD12 ' HH ' ' L' ' 10' ' ' TYR . 40.9 mt -137.96 133.68 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.3 118.78 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.757 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.51 138.18 30.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.349 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.57 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.813 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.748 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.26 121.4 14.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.4 69.66 52.77 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.944 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.666 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 32.8 Cg_endo -64.74 144.72 84.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.464 2.109 . . . . 0.0 111.871 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.484 ' H ' HG23 ' M' ' 2' ' ' THR . 8.1 m-85 -135.5 138.36 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.15 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.828 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.539 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.691 0.281 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' THR . . . . . 0.43 ' HB ' HG21 ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.23 140.35 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.434 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.513 HD12 ' HH ' ' M' ' 10' ' ' TYR . 43.1 mt -138.0 133.4 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.79 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 138.52 30.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.641 0.258 . . . . 0.0 111.422 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.73 48.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.802 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.748 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.38 14.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.3 68.76 49.56 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.971 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.666 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.72 144.21 83.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.385 2.057 . . . . 0.0 111.663 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.411 ' H ' HG23 ' N' ' 2' ' ' THR . 7.4 m-85 -134.31 138.46 44.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.124 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.503 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' THR . . . . . 0.43 HG21 ' HB ' ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.37 140.3 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.485 HD12 ' HH ' ' N' ' 10' ' ' TYR . 43.2 mt -137.86 133.35 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.34 118.66 11.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.76 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' H' ' 5' ' ' ALA . . . -142.62 138.4 30.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.359 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 136.62 47.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.834 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.686 HD23 HD21 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.26 121.44 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -124.46 68.89 51.62 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.931 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.2 Cg_endo -64.74 144.36 83.54 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.36 2.04 . . . . 0.0 111.494 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -134.04 139.16 45.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.151 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.936 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.749 0.309 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' THR . . . . . 0.417 HG21 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.1 140.25 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.368 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.461 HD12 ' HH ' ' O' ' 10' ' ' TYR . 45.1 mt -137.03 133.04 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.0 118.27 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.864 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' G' ' 5' ' ' ALA . . . -142.71 138.58 30.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 0.0 111.446 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.6 136.27 47.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.672 HD23 HD21 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.91 121.45 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.749 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 68.38 52.92 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.994 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 32.8 Cg_endo -63.76 143.42 86.35 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.311 2.007 . . . . 0.0 111.675 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -133.0 136.16 45.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.823 0.344 . . . . 0.0 111.574 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.97 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.704 0.288 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.73 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.379 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -138.74 133.66 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.144 0.497 . . . . 0.0 111.637 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 9' ' ' PRO . . . -141.11 119.3 12.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.744 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.84 138.96 32.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.358 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.601 HD21 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.67 136.32 47.59 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.697 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.94 121.15 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -124.06 68.26 45.8 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.629 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.3 Cg_endo -63.91 145.18 89.93 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.357 2.038 . . . . 0.0 112.23 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.6 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.69 142.01 47.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.797 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.754 0.311 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.521 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.01 140.55 38.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.341 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -138.4 134.34 43.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.366 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.635 ' HB1' ' HG3' ' B' ' 9' ' ' PRO . . . -141.38 119.61 12.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.707 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.82 138.26 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.281 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.732 HD21 HD23 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.31 136.43 48.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.801 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.699 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.65 69.31 54.48 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.718 0.294 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.629 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.7 Cg_endo -65.18 145.26 83.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.517 2.144 . . . . 0.0 112.01 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.582 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.36 142.1 47.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.432 ' H1 ' ' HD1' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.47 HG21 ' HB ' ' L' ' 2' ' ' THR . 0.2 OUTLIER -139.33 140.61 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.332 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 mt -138.87 134.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.403 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.627 ' HB1' ' HG3' ' C' ' 9' ' ' PRO . . . -141.56 119.47 11.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.671 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.693 0.282 . . . . 0.0 111.246 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.749 HD21 HD23 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.12 136.22 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.792 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.699 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.98 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 16.2 m -124.64 69.48 54.77 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.849 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.676 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.7 Cg_endo -65.55 145.15 81.44 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.064 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.552 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.2 m-85 -134.34 142.08 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H1 ' ' K' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.679 0.276 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.47 ' HB ' HG21 ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.57 37.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.268 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.97 135.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.989 0.423 . . . . 0.0 111.436 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.587 ' HB1' ' HG3' ' D' ' 9' ' ' PRO . . . -141.69 119.36 11.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.681 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.14 31.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.643 0.259 . . . . 0.0 111.245 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.711 HD21 HD23 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.32 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 16.5 m -124.64 68.9 53.5 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.672 0.273 . . . . 0.0 110.964 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.676 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.3 Cg_endo -65.11 145.21 84.21 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.424 2.083 . . . . 0.0 112.074 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.525 ' HH ' HD12 ' E' ' 3' ' ' ILE . 8.6 m-85 -134.59 141.88 46.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.406 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.718 0.294 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.484 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.46 37.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.353 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . 0.402 HG21 ' N ' ' M' ' 4' ' ' ALA . 38.9 mt -139.23 135.15 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.474 . . . . 0.0 111.41 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.567 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.58 119.35 11.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 137.88 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.627 0.251 . . . . 0.0 111.316 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.682 HD21 HD23 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.37 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.678 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 120.89 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 16.4 m -124.68 69.11 54.41 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.689 0.28 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.673 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.6 Cg_endo -65.31 145.43 83.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.518 2.146 . . . . 0.0 112.095 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.539 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.9 m-85 -135.08 141.84 46.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.453 ' HB ' HG21 ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.34 140.57 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.396 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . 0.408 HG21 ' N ' ' N' ' 4' ' ' ALA . 40.4 mt -139.88 135.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.547 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.567 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.66 119.49 11.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.635 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.03 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 111.276 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.684 HD21 HD23 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.5 136.3 47.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -124.38 68.97 50.95 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.665 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 31.7 Cg_endo -64.65 145.51 87.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.529 2.152 . . . . 0.0 112.085 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.503 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 9.1 m-85 -135.97 141.27 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.413 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.443 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.62 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.495 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . 0.404 HG21 ' N ' ' O' ' 4' ' ' ALA . 42.0 mt -140.48 134.84 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.079 0.466 . . . . 0.0 111.568 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.38 119.39 11.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.643 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.75 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 111.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.686 HD21 HD23 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.43 136.47 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.667 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 120.83 13.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -124.31 68.81 49.87 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.679 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 32.5 Cg_endo -64.84 145.45 86.11 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.53 2.153 . . . . 0.0 112.204 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.461 ' HH ' HD12 ' H' ' 3' ' ' ILE . 9.4 m-85 -135.85 141.98 44.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.81 0.338 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.86 140.55 38.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.343 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . 0.403 HG21 ' N ' ' P' ' 4' ' ' ALA . 39.0 mt -139.95 134.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.43 119.74 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.683 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.28 32.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.627 0.251 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.672 HD21 HD23 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.52 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.62 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.659 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.18 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.772 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -124.89 70.59 59.64 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.679 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.1 Cg_endo -66.41 144.98 75.76 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.564 2.176 . . . . 0.0 112.208 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -136.27 141.66 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.87 0.367 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.7 mt -138.54 133.97 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.2 118.96 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.38 136.04 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -130.08 136.23 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.792 0.33 . . . . 0.0 110.516 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.824 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.35 121.41 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -122.54 71.22 37.32 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.661 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -66.15 142.48 67.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.507 2.138 . . . . 0.0 112.036 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' N ' HG22 ' I' ' 2' ' ' THR . 8.7 m-85 -135.25 141.14 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.549 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.731 0.301 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.414 HG23 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.29 140.37 37.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.297 -179.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.9 mt -137.42 134.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.574 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.27 118.79 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.877 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.51 136.29 29.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.695 0.283 . . . . 0.0 111.308 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.46 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.04 136.17 48.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.551 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.874 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.36 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.873 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -122.24 70.22 31.95 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.698 ' HG3' ' HB3' ' J' ' 4' ' ' ALA . 28.7 Cg_endo -63.71 145.31 90.97 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.194 1.929 . . . . 0.0 111.949 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.586 ' N ' HG22 ' J' ' 2' ' ' THR . 7.6 m-85 -137.45 139.5 40.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.029 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.59 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.704 0.288 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.35 37.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 39.2 mt -137.19 134.47 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.593 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.714 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.68 136.02 28.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.12 136.12 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.723 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.57 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -122.56 70.3 35.44 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.689 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 29.3 Cg_endo -63.91 145.26 90.01 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.315 2.01 . . . . 0.0 111.949 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.548 ' N ' HG22 ' K' ' 2' ' ' THR . 7.4 m-85 -136.77 139.43 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.835 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.009 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' THR . . . . . 0.416 ' HB ' HG23 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.06 37.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.15 134.26 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.35 118.72 11.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 136.41 29.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.307 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.6 OUTLIER -131.28 136.38 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.641 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.824 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.52 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -122.69 70.09 36.32 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 110.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.649 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 31.0 Cg_endo -64.16 145.22 88.8 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.367 2.045 . . . . 0.0 111.85 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.574 ' H ' HG22 ' L' ' 2' ' ' THR . 7.4 m-85 -136.36 138.87 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.815 179.891 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.767 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' THR . . . . . 0.416 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.47 140.11 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.195 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.88 134.29 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.556 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.78 136.58 28.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.558 0.218 . . . . 0.0 111.339 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.46 136.21 47.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.652 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.59 14.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.06 69.83 39.46 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.686 0.279 . . . . 0.0 111.01 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.686 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 30.3 Cg_endo -63.93 144.83 89.13 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.378 2.052 . . . . 0.0 111.879 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.558 ' H ' HG22 ' M' ' 2' ' ' THR . 7.2 m-85 -135.72 138.0 42.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.106 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.813 0.34 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' THR . . . . . 0.433 ' HB ' HG23 ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.36 37.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.29 133.92 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.36 118.43 11.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.746 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' G' ' 5' ' ' ALA . . . -142.75 136.26 28.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.374 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.6 OUTLIER -131.17 136.11 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.673 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 121.53 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -123.02 69.34 37.79 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.686 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 29.8 Cg_endo -63.66 144.74 90.29 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.413 2.075 . . . . 0.0 111.761 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.517 ' H ' HG22 ' N' ' 2' ' ' THR . 6.6 m-85 -135.31 137.44 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.059 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.463 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.736 0.303 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' THR . . . . . 0.433 HG23 ' HB ' ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.4 140.15 37.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.824 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.435 HD13 ' CE1' ' O' ' 10' ' ' TYR . 47.5 mt -136.91 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.42 118.45 11.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.758 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' F' ' 5' ' ' ALA . . . -142.78 136.21 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.44 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 0.6 OUTLIER -131.3 136.28 48.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.723 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.859 ' HB3' HD11 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.46 14.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.85 69.48 36.45 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.985 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' H' ' 9' ' ' PRO . 31.1 Cg_endo -64.07 143.96 85.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.401 2.067 . . . . 0.0 111.671 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.464 ' H ' HG22 ' O' ' 2' ' ' THR . 6.5 m-85 -134.12 137.96 44.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.065 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.732 0.301 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.28 37.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' P' ' 10' ' ' TYR . 49.7 mt -136.58 133.57 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.049 0.452 . . . . 0.0 111.269 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.493 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.17 118.15 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.805 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.86 136.1 28.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.488 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.31 135.9 47.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.859 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.14 121.48 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -123.41 69.2 41.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.859 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.68 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.0 Cg_endo -63.71 143.09 85.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.413 2.075 . . . . 0.0 111.541 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . 0.441 ' H ' HG22 ' P' ' 2' ' ' THR . 6.1 m-85 -132.98 134.62 44.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.578 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.561 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.586 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.68 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.93 133.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.183 0.516 . . . . 0.0 111.63 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.577 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -141.14 119.2 11.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.616 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 137.41 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.324 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.587 HD23 HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.49 135.92 47.48 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.005 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.06 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 68.7 m -122.96 68.82 35.87 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.68 0.276 . . . . 0.0 110.974 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.739 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.0 Cg_endo -64.11 144.7 87.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.421 2.081 . . . . 0.0 112.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.549 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.22 142.39 48.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.765 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.586 HG22 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.14 140.49 37.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -138.38 134.18 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.429 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.698 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -141.58 119.22 11.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.546 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 137.0 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.664 0.268 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.618 HD23 HD23 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.46 48.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.865 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.852 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.97 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.656 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -122.69 69.92 35.86 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.635 0.255 . . . . 0.0 110.835 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.739 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.0 Cg_endo -64.9 145.11 85.15 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.476 2.117 . . . . 0.0 112.14 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.59 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.91 141.4 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.856 0.36 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.548 HG22 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.5 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mt -138.37 135.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.446 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.669 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.53 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.12 30.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.667 0.27 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.606 HD23 HD23 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -130.98 136.18 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.801 HD11 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.06 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 68.3 m -123.07 69.65 39.14 Favored Pre-proline 0 CA--C 1.528 0.097 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.68 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 31.7 Cg_endo -64.95 145.34 85.39 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.495 2.13 . . . . 0.0 112.108 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.8 m-85 -135.07 141.7 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.574 HG22 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.42 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.52 135.17 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.608 ' HB3' ' HG3' ' D' ' 9' ' ' PRO . . . -141.43 119.31 11.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.606 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 135.81 29.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.571 0.224 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.6 HD23 HD23 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.02 136.08 48.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.783 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.801 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 121.12 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.844 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 67.3 m -123.09 69.36 38.52 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.624 0.25 . . . . 0.0 110.895 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.2 Cg_endo -64.23 145.34 88.65 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.578 2.185 . . . . 0.0 112.256 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.9 m-85 -135.45 140.82 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.518 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 5.2 t . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.558 HG22 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.43 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.85 135.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.338 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.566 ' HB3' ' HG3' ' E' ' 9' ' ' PRO . . . -141.47 119.48 11.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.552 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 136.23 29.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.607 HD23 HD23 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.22 136.05 47.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.79 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.766 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 121.03 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.698 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 69.1 m -123.08 69.55 38.92 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.674 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 32.4 Cg_endo -64.76 145.31 86.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.189 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.9 m-85 -135.34 140.71 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.6 t . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.517 HG22 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.51 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.341 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -139.54 135.69 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.098 0.475 . . . . 0.0 111.451 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.75 119.29 11.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.711 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 135.94 29.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.561 HD23 HD23 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.1 135.7 47.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.792 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.72 120.93 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.669 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -123.17 69.32 39.3 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.727 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 29.6 Cg_endo -64.3 145.38 88.41 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.486 2.124 . . . . 0.0 112.201 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.74 141.07 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.413 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.464 HG22 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.61 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.527 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.91 135.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.084 0.469 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.6 119.07 11.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.591 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 135.61 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 111.298 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.554 HD23 HD23 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.28 136.05 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.628 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.792 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 120.83 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.94 69.64 37.72 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 120.712 0.291 . . . . 0.0 110.732 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.727 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 31.0 Cg_endo -64.43 145.55 88.09 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.534 2.156 . . . . 0.0 112.204 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.435 ' CE1' HD13 ' G' ' 3' ' ' ILE . 8.4 m-85 -136.1 141.11 44.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.753 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.967 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.66 37.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.301 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.57 135.78 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.35 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.41 119.33 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.19 134.33 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.387 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.593 HD23 HD23 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -129.71 136.21 49.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.667 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.25 14.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.54 71.46 48.14 Favored Pre-proline 0 N--CA 1.456 -0.173 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.8 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.697 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.9 Cg_endo -66.43 145.05 75.88 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.549 2.166 . . . . 0.0 112.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD13 ' H' ' 3' ' ' ILE . 9.6 m-85 -136.74 140.98 43.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.11 37.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.231 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.69 HG22 ' HG ' ' I' ' 8' ' ' SER . 39.0 mt -138.83 134.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.03 119.07 11.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 135.6 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -129.25 136.38 50.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.398 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.18 121.46 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.8 70.52 38.48 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.999 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.604 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -65.92 142.83 70.55 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.533 2.155 . . . . 0.0 111.972 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -135.18 141.25 45.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.559 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 35.6 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.558 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.765 0.317 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.583 HG22 ' HG ' ' J' ' 8' ' ' SER . 38.5 mt -138.02 135.32 45.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.32 118.86 11.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.805 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.54 137.15 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.33 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.459 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -131.27 136.42 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.687 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.2 121.16 14.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.4 70.56 34.35 Favored Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.86 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.694 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.5 Cg_endo -64.51 145.24 87.21 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.244 1.962 . . . . 0.0 111.812 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -136.67 138.49 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.623 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 32.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.567 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.732 0.301 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.1 37.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.29 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.624 HG22 ' HG ' ' K' ' 8' ' ' SER . 44.4 mt -137.78 134.95 45.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.33 118.68 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.72 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.53 137.01 29.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.652 0.263 . . . . 0.0 111.351 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -131.32 136.48 48.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.691 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.16 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.56 70.21 35.23 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.694 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 33.3 Cg_endo -64.92 145.11 85.02 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.294 1.996 . . . . 0.0 111.949 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -136.05 138.36 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.623 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 33.8 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.24 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.299 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.609 HG22 ' HG ' ' L' ' 8' ' ' SER . 44.8 mt -137.95 134.73 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.984 0.421 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.09 118.45 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.66 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 136.8 29.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.389 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.766 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.47 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.21 70.06 41.54 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.681 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 32.4 Cg_endo -64.75 144.31 83.32 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.347 2.031 . . . . 0.0 111.875 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -134.62 138.06 44.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.937 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.667 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 32.2 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.489 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.741 0.305 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.17 37.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.641 HG22 ' HG ' ' M' ' 8' ' ' SER . 48.6 mt -137.83 134.76 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.26 118.72 11.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' M' ' 6' ' ' LEU . . . -142.83 136.47 28.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.659 0.266 . . . . 0.0 111.391 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.424 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 0.5 OUTLIER -131.09 136.48 48.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.803 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.684 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.4 14.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.98 69.78 38.53 Favored Pre-proline 0 CA--C 1.529 0.146 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.016 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.681 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.3 Cg_endo -64.79 144.79 84.71 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.381 2.054 . . . . 0.0 111.806 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -135.35 136.88 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.667 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 31.9 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.462 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.22 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.252 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.61 HG22 ' HG ' ' N' ' 8' ' ' SER . 45.7 mt -137.69 134.89 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.46 118.56 11.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.762 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.427 ' HB2' HD22 ' N' ' 6' ' ' LEU . . . -142.83 136.78 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.371 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.85 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.696 HD23 HD22 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -140.37 121.41 14.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.771 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.71 69.43 34.91 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.974 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 34.7 Cg_endo -64.55 144.94 86.37 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.291 1.994 . . . . 0.0 111.7 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -135.42 136.86 41.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.606 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 27.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.899 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.744 0.307 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.18 37.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.546 HG22 ' HG ' ' O' ' 8' ' ' SER . 46.2 mt -137.49 134.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.24 118.31 11.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.459 ' HB2' HD22 ' O' ' 6' ' ' LEU . . . -142.73 136.98 29.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' H' ' 6' ' ' LEU . 0.5 OUTLIER -131.35 136.42 48.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.666 HD23 HD22 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.38 121.44 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.739 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.22 69.73 40.8 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.4 Cg_endo -65.18 144.82 82.7 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.306 2.004 . . . . 0.0 111.678 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -134.49 137.64 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.159 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.606 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 22.9 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.848 0.356 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.2 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.485 HD13 ' HG ' ' P' ' 8' ' ' SER . 51.8 mt -136.85 133.98 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 111.216 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.08 118.14 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.838 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' P' ' 6' ' ' LEU . . . -142.96 137.18 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.524 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.425 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.63 136.06 47.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.652 HD23 HD22 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.78 121.42 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.64 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 68.96 41.79 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.57 ' HB2' HG21 ' O' ' 2' ' ' THR . 34.8 Cg_endo -64.27 142.31 79.09 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.401 2.067 . . . . 0.0 111.569 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -131.6 135.71 47.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.785 0.326 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.574 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 22.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.841 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.453 HG22 ' HB2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.67 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.43 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -139.13 134.62 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.93 119.02 11.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.729 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.85 137.52 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.221 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.596 HD22 HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.55 136.2 47.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.954 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.661 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.06 13.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.69 ' HG ' HG22 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -122.93 69.43 37.09 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-O 120.642 0.258 . . . . 0.0 110.861 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.655 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.9 Cg_endo -65.1 144.67 82.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.407 2.071 . . . . 0.0 112.147 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.9 m-85 -133.28 141.54 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.746 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 23.2 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.838 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.771 0.32 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.38 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . 0.404 HG21 ' N ' ' J' ' 4' ' ' ALA . 46.1 mt -139.06 135.25 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 111.351 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.54 119.09 11.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.585 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -141.86 137.56 31.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.646 0.26 . . . . 0.0 111.202 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.664 HD22 HD23 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.41 136.71 48.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.661 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.04 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 0.583 ' HG ' HG22 ' B' ' 3' ' ' ILE . 0.1 OUTLIER -123.14 69.67 39.86 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.596 0.236 . . . . 0.0 110.953 179.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.655 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.2 Cg_endo -65.46 145.12 81.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.435 2.09 . . . . 0.0 112.042 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.567 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 8.0 m-85 -134.11 141.73 47.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.746 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 24.3 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.796 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.44 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.207 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . 0.415 HG21 ' N ' ' K' ' 4' ' ' ALA . 45.5 mt -139.0 135.83 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.5 12.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.674 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.04 137.15 30.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.634 0.254 . . . . 0.0 111.156 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.653 HD22 HD23 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.39 136.36 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.812 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.583 HD11 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 121.03 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.624 ' HG ' HG22 ' C' ' 3' ' ' ILE . 0.1 OUTLIER -123.18 69.42 39.62 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-O 120.664 0.269 . . . . 0.0 110.96 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.632 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 33.6 Cg_endo -64.9 145.12 85.13 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.522 2.148 . . . . 0.0 112.035 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.0 m-85 -134.63 140.9 46.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.013 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.729 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 22.7 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.789 0.328 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.55 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.423 HG21 ' N ' ' L' ' 4' ' ' ALA . 48.1 mt -139.3 135.79 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 111.363 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.44 119.25 11.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.582 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.7 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.666 HD22 HD23 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.26 136.1 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.804 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.584 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.6 120.92 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.609 ' HG ' HG22 ' D' ' 3' ' ' ILE . 0.2 OUTLIER -123.44 69.76 43.12 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-O 120.701 0.286 . . . . 0.0 110.905 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.685 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.0 Cg_endo -65.64 145.21 81.05 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.434 2.089 . . . . 0.0 112.092 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.489 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.1 m-85 -134.13 141.53 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.696 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 29.7 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.411 HG21 ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.72 140.54 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.341 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . 0.424 HG21 ' N ' ' M' ' 4' ' ' ALA . 46.5 mt -139.89 135.68 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.055 0.455 . . . . 0.0 111.303 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.55 119.41 11.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.691 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.03 137.34 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.583 0.23 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.664 HD22 HD23 ' E' ' 7' ' ' LEU . 0.4 OUTLIER -131.52 136.14 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.865 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.584 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.98 13.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.664 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.641 ' HG ' HG22 ' E' ' 3' ' ' ILE . 0.2 OUTLIER -123.7 69.28 44.59 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.934 179.782 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.685 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.0 Cg_endo -64.94 145.38 85.52 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.549 2.166 . . . . 0.0 112.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.462 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.1 m-85 -134.84 140.15 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.696 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 30.3 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.795 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.695 0.283 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.459 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.51 140.31 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . 0.422 HG21 ' N ' ' N' ' 4' ' ' ALA . 49.6 mt -139.9 135.57 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.053 0.454 . . . . 0.0 111.508 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.55 119.32 11.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.706 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.82 137.37 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 0.0 111.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.696 HD22 HD23 ' F' ' 7' ' ' LEU . 0.4 OUTLIER -131.58 136.26 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.87 120.79 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.61 ' HG ' HG22 ' F' ' 3' ' ' ILE . 0.2 OUTLIER -123.13 68.82 37.62 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.857 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.714 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.0 Cg_endo -64.83 145.45 86.14 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.1 m-85 -135.38 140.58 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 33.6 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.57 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.43 140.72 37.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.573 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . 0.423 HG21 ' N ' ' O' ' 4' ' ' ALA . 52.1 mt -141.1 135.31 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.579 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.557 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.742 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.0 30.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.7 0.285 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.666 HD22 HD23 ' G' ' 7' ' ' LEU . 0.4 OUTLIER -131.25 136.25 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.57 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 120.69 13.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.546 ' HG ' HG22 ' G' ' 3' ' ' ILE . 0.2 OUTLIER -123.06 69.07 37.51 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-O 120.672 0.272 . . . . 0.0 110.743 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.715 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.87 145.31 85.67 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.45 2.1 . . . . 0.0 112.207 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.8 m-85 -135.16 140.99 45.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 34.1 t . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.79 37.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . 0.439 HG21 ' N ' ' P' ' 4' ' ' ALA . 47.0 mt -140.26 136.3 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.283 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.33 119.4 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.13 135.85 29.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.627 0.251 . . . . 0.0 111.287 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.652 HD22 HD23 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -129.7 136.29 49.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.88 121.14 14.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.485 ' HG ' HD13 ' H' ' 3' ' ' ILE . 0.2 OUTLIER -124.19 71.55 54.66 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-O 120.839 0.352 . . . . 0.0 110.683 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.715 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.3 Cg_endo -67.31 144.39 67.96 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.439 2.092 . . . . 0.0 112.274 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . 0.434 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.1 m-85 -134.95 140.44 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.689 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 36.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.66 140.2 38.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.01 135.64 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.01 118.92 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.33 138.45 31.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER -131.2 136.5 48.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.985 0.422 . . . . 0.0 110.595 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.01 121.45 16.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.0 70.65 67.88 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.79 0.329 . . . . 0.0 111.406 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.565 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.23 140.96 60.89 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 111.361 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -131.6 151.65 51.44 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.873 0.368 . . . . 0.0 111.647 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.513 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.444 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.735 0.302 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.33 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.551 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.418 HD11 ' OH ' ' I' ' 10' ' ' TYR . 53.1 mt -138.45 136.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.91 118.63 11.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.761 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.483 ' HB2' HD22 ' J' ' 6' ' ' LEU . . . -142.56 138.15 30.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.408 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.21 136.64 48.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.786 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.797 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.14 14.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.559 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -125.88 70.38 66.56 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.564 0.221 . . . . 0.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.18 144.59 81.85 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.247 1.965 . . . . 0.0 111.308 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -133.99 149.58 51.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.882 0.373 . . . . 0.0 111.569 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.285 179.468 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.42 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.4 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.508 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' K' ' 10' ' ' TYR . 50.8 mt -138.23 136.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.0 118.53 11.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.899 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' K' ' 6' ' ' LEU . . . -142.5 138.23 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.62 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.875 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.13 121.4 14.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.33 69.68 68.69 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-O 120.609 0.243 . . . . 0.0 111.369 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.582 ' HG3' ' HB3' ' K' ' 4' ' ' ALA . 35.7 Cg_endo -65.04 143.56 79.08 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.302 2.002 . . . . 0.0 111.286 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.664 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.177 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.413 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.27 37.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.412 HD13 ' CE1' ' L' ' 10' ' ' TYR . 53.4 mt -138.15 135.87 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.0 118.55 11.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.538 ' HB2' HD22 ' L' ' 6' ' ' LEU . . . -142.64 137.99 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.73 136.74 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.817 ' HB3' HD13 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.12 121.42 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.531 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.11 69.51 66.8 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.664 0.268 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.579 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 37.0 Cg_endo -65.5 142.86 73.47 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.399 2.066 . . . . 0.0 111.258 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.99 149.37 52.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.654 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.097 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.435 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.742 0.306 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.28 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' M' ' 10' ' ' TYR . 52.3 mt -137.92 135.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -140.95 118.62 11.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.777 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.568 ' HB2' HD22 ' M' ' 6' ' ' LEU . . . -142.61 137.87 30.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.227 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.817 HD13 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.44 14.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.37 69.57 68.85 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.441 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.579 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.1 Cg_endo -65.73 143.67 75.01 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.228 1.952 . . . . 0.0 111.219 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -131.38 147.96 52.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 111.553 -179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.094 179.765 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.451 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.332 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.34 37.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.408 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.435 HD13 ' CE1' ' N' ' 10' ' ' TYR . 54.6 mt -138.13 135.81 44.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.144 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.1 118.52 11.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.583 ' HB2' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.09 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.53 136.48 47.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.917 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.4 14.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.38 69.5 68.76 Favored Pre-proline 0 C--N 1.332 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 38.4 Cg_endo -66.0 143.4 72.22 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.296 1.997 . . . . 0.0 111.17 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.84 148.01 52.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.554 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.412 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 5.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.058 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.431 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.06 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.425 HD13 ' CE1' ' O' ' 10' ' ' TYR . 52.0 mt -137.82 135.52 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.12 118.45 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.624 ' HB2' HD22 ' O' ' 6' ' ' LEU . . . -142.59 138.17 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 136.44 47.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.917 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.28 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.583 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.23 69.12 67.09 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.597 0.237 . . . . 0.0 111.225 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.537 ' HB2' HG23 ' N' ' 2' ' ' THR . 39.5 Cg_endo -66.13 141.72 64.67 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.235 1.957 . . . . 0.0 111.128 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.48 149.47 50.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 111.591 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.414 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 5.0 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.394 -0.813 . . . . 0.0 111.052 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.41 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.716 0.293 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.08 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.342 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.407 HD13 ' HB3' ' P' ' 8' ' ' SER . 52.3 mt -137.67 134.98 46.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.497 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.38 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.647 ' HB2' HD22 ' P' ' 6' ' ' LEU . . . -142.74 138.22 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.14 47.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 121.27 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.23 67.96 64.64 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.636 ' HB2' HG23 ' O' ' 2' ' ' THR . 39.6 Cg_endo -65.7 139.71 58.96 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.273 1.982 . . . . 0.0 111.18 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -125.53 150.75 47.15 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 111.891 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 4.5 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.197 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.75 37.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -138.74 135.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -140.76 119.14 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.17 138.58 31.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.236 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.43 136.02 47.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.01 121.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.138 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.15 69.63 67.33 Favored Pre-proline 0 C--O 1.233 0.193 0 CA-C-O 120.666 0.27 . . . . 0.0 111.257 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 35.7 Cg_endo -65.29 143.36 76.72 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.291 1.994 . . . . 0.0 111.754 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.444 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 6.6 m-85 -128.9 152.02 49.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.474 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 5.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.73 0.3 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.49 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -138.63 136.83 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.271 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.562 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -141.17 119.08 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 138.5 31.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.58 0.229 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.483 HD22 ' HB2' ' B' ' 5' ' ' ALA . 0.7 OUTLIER -131.57 136.51 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.963 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD13 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.19 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.265 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -126.96 70.36 74.18 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.695 0.284 . . . . 0.0 111.327 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.4 Cg_endo -66.46 144.06 71.88 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.304 2.002 . . . . 0.0 111.679 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.42 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.3 m-85 -129.74 150.72 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.477 ' HA ' ' HB2' ' K' ' 11' ' ' SER . 6.2 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.673 0.273 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.59 37.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 111.436 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt -139.37 137.03 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.455 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -141.24 119.14 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.642 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.25 138.22 31.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.629 0.252 . . . . 0.0 111.051 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.49 HD22 ' HB2' ' C' ' 5' ' ' ALA . 0.7 OUTLIER -131.62 136.6 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.788 0.328 . . . . 0.0 111.051 179.725 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.764 ' HB3' HD13 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.45 121.13 14.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 69.45 68.73 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.592 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.2 Cg_endo -65.53 144.57 79.61 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.412 2.075 . . . . 0.0 111.749 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.418 ' CE1' HD13 ' C' ' 3' ' ' ILE . 6.2 m-85 -131.29 149.5 52.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.331 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.477 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 8.8 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.853 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.757 0.313 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.88 140.46 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.493 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -139.6 137.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.287 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.548 ' HB3' ' HG3' ' D' ' 9' ' ' PRO . . . -141.47 118.93 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.24 137.8 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.538 HD22 ' HB2' ' D' ' 5' ' ' ALA . 0.7 OUTLIER -131.36 136.7 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.728 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.06 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.278 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.6 69.54 70.48 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-O 120.642 0.258 . . . . 0.0 111.186 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.566 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.74 144.9 79.55 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.372 2.048 . . . . 0.0 111.821 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.435 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 6.5 m-85 -131.64 149.99 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.432 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 11.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.027 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.841 0.353 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.46 HG23 ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.54 37.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.48 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 56.7 mt -140.35 137.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 111.337 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.534 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.46 119.1 11.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.759 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 138.03 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.59 0.234 . . . . 0.0 111.135 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.568 HD22 ' HB2' ' E' ' 5' ' ' ALA . 0.7 OUTLIER -131.32 136.39 48.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.684 HD13 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.55 121.04 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.338 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -126.32 68.89 67.4 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.588 0.233 . . . . 0.0 111.286 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.566 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.5 Cg_endo -64.92 145.21 85.22 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.323 2.016 . . . . 0.0 111.882 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 6.4 m-85 -132.62 148.83 52.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.704 0.288 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.537 HG23 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.1 140.54 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 111.612 -179.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 58.9 mt -141.14 136.46 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.5 119.41 11.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.701 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.26 31.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.638 0.256 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.583 HD22 ' HB2' ' F' ' 5' ' ' ALA . 0.6 OUTLIER -131.42 136.39 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.982 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.717 HD13 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.9 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.355 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.17 69.19 66.75 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.59 0.234 . . . . 0.0 111.368 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.613 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.4 Cg_endo -65.51 145.04 81.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.306 2.004 . . . . 0.0 111.664 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.435 ' CE1' HD13 ' F' ' 3' ' ' ILE . 6.5 m-85 -132.74 149.07 52.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 111.157 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 11.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.636 HG23 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -137.26 140.88 41.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.674 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -142.64 135.53 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.355 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.648 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.12 138.15 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.536 0.208 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.624 HD22 ' HB2' ' G' ' 5' ' ' ALA . 0.7 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.066 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.68 120.94 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.35 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.26 69.25 67.55 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 111.188 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 34.7 Cg_endo -65.47 145.12 81.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.384 2.056 . . . . 0.0 111.813 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.425 ' CE1' HD13 ' G' ' 3' ' ' ILE . 6.9 m-85 -132.8 148.45 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' P' ' 11' ' ' SER . 14.0 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -0.802 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.62 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.486 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 53.7 mt -139.86 137.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.496 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.91 119.17 12.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.643 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.2 31.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.594 0.235 . . . . 0.0 111.286 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.647 HD22 ' HB2' ' H' ' 5' ' ' ALA . 0.7 OUTLIER -131.36 136.71 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.964 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.744 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.98 121.12 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.504 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.407 ' HB3' HD13 ' H' ' 3' ' ' ILE . 1.5 m -126.89 70.91 74.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.254 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.8 Cg_endo -67.34 144.02 66.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.51 2.14 . . . . 0.0 111.798 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.53 147.15 52.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 17.1 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.03 140.4 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.309 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mt -139.77 135.59 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.81 119.01 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.45 31.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.45 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.677 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.718 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.78 121.41 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.694 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -127.07 70.61 75.04 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.524 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -65.82 142.58 70.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.485 2.123 . . . . 0.0 111.428 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.401 ' N ' HG23 ' I' ' 2' ' ' THR . 5.6 m-85 -133.43 151.57 51.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.882 0.372 . . . . 0.0 111.628 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.767 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.497 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.463 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.43 37.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.554 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.6 mt -138.8 136.41 43.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.297 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.19 118.79 11.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.457 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.51 138.21 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.179 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.83 48.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.799 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.91 121.19 14.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.0 m -126.98 70.24 74.19 Favored Pre-proline 0 N--CA 1.456 -0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.381 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -64.67 144.7 85.04 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.363 2.042 . . . . 0.0 111.26 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -134.26 149.77 50.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 111.491 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.767 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.385 -0.816 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.474 ' HD1' ' H1 ' ' D' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.27 37.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.437 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.402 HD12 HG22 ' C' ' 3' ' ' ILE . 48.1 mt -138.3 135.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.58 11.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.683 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.45 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.21 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.46 136.78 48.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.844 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.784 HD13 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.34 14.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.533 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -127.25 70.35 75.37 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-O 120.658 0.266 . . . . 0.0 111.36 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.7 Cg_endo -65.55 143.12 74.13 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.267 1.978 . . . . 0.0 111.284 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.875 0.369 . . . . 0.0 111.553 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.165 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.474 ' H1 ' ' HD1' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.648 0.261 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.52 140.33 37.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.307 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 48.2 mt -138.54 135.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.14 118.62 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.491 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.57 138.23 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.36 136.82 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.46 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.653 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -127.38 69.63 75.0 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.673 0.273 . . . . 0.0 111.522 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.2 Cg_endo -65.33 142.94 74.94 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.324 2.016 . . . . 0.0 111.311 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -131.4 148.94 52.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.557 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.713 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.208 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.482 ' HD1' ' H1 ' ' F' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.2 37.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.47 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.413 HD12 HG22 ' E' ' 3' ' ' ILE . 49.0 mt -138.37 135.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.4 118.62 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.684 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.545 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.64 138.33 30.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' F' ' 6' ' ' LEU . 0.7 OUTLIER -131.44 136.77 48.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.3 121.36 14.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -127.37 69.7 75.02 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-O 120.61 0.243 . . . . 0.0 111.358 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.511 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.56 142.77 72.7 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.341 2.028 . . . . 0.0 111.293 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.89 148.75 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.712 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.047 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.482 ' H1 ' ' HD1' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.4 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.419 HD13 ' CE1' ' N' ' 10' ' ' TYR . 55.4 mt -138.76 135.56 43.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.273 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.24 118.58 11.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.772 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.542 ' HB3' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.37 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' HG ' ' E' ' 6' ' ' LEU . 0.7 OUTLIER -131.4 136.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.978 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.17 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.01 69.46 73.42 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.583 0.23 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.0 Cg_endo -65.92 141.61 65.49 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.359 2.039 . . . . 0.0 111.202 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.18 150.03 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.446 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.092 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.422 ' HD1' ' H1 ' ' H' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.719 0.295 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.31 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.44 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.43 HD13 ' CE1' ' O' ' 10' ' ' TYR . 56.8 mt -138.69 135.24 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.14 118.44 11.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.634 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.595 ' HB3' HD22 ' O' ' 6' ' ' LEU . . . -142.58 138.59 30.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.93 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.875 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.18 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -127.61 69.49 75.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.664 0.269 . . . . 0.0 111.227 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.492 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.0 Cg_endo -66.31 142.18 65.37 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.278 1.985 . . . . 0.0 111.119 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -129.18 149.36 51.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.534 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.422 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.12 37.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -138.03 134.76 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.065 0.46 . . . . 0.0 111.229 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.87 118.32 11.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.906 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.653 ' HB3' HD22 ' P' ' 6' ' ' LEU . . . -142.89 138.71 30.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.47 136.43 47.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.702 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.25 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.375 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -127.35 68.31 72.93 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.525 0.202 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.5 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 39.7 Cg_endo -65.4 139.94 61.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.36 2.04 . . . . 0.0 111.141 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.28 151.13 47.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.823 0.344 . . . . 0.0 111.769 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.072 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.814 0.34 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.59 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.409 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -138.57 136.1 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.12 0.486 . . . . 0.0 111.494 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 118.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.762 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.28 138.62 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.496 HD22 HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.53 136.2 47.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.172 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.739 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.95 121.14 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.195 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.48 68.91 74.5 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-O 120.584 0.23 . . . . 0.0 111.212 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.8 Cg_endo -64.58 143.04 80.19 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.336 2.024 . . . . 0.0 111.834 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.463 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 5.8 m-85 -128.68 152.27 48.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 111.339 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.627 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.01 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.336 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -139.11 136.66 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.378 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.27 119.11 11.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.616 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.08 138.65 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.511 HD22 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.63 136.74 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.13 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD13 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 121.19 14.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.374 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -127.67 69.4 75.84 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.637 0.256 . . . . 0.0 111.245 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.61 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.3 Cg_endo -65.23 144.03 79.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.293 1.996 . . . . 0.0 111.782 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.466 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.5 150.87 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 111.283 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.726 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.425 ' H1 ' ' HD1' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 140.65 36.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.407 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.5 mt -139.47 137.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.351 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.48 119.07 11.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.6 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.602 0.239 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.521 HD22 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.58 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.727 HD13 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.61 120.97 13.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -127.83 69.48 76.55 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.662 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.9 Cg_endo -65.25 144.73 81.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.355 2.037 . . . . 0.0 111.751 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.55 150.04 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.237 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.726 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.036 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.425 ' HD1' ' H1 ' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.767 0.317 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 140.65 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.361 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.08 136.83 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.399 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.488 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.41 119.15 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 138.76 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.595 0.236 . . . . 0.0 111.073 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.514 HD22 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.61 136.71 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.53 121.09 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 75.6 m -127.87 69.19 76.39 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.672 0.272 . . . . 0.0 111.31 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.662 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 36.0 Cg_endo -65.15 145.16 83.83 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.387 2.058 . . . . 0.0 111.809 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -132.33 149.36 52.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.385 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.749 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.47 37.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.533 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -140.81 136.46 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.429 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.482 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.669 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.77 31.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.619 0.247 . . . . 0.0 111.13 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.5 136.65 48.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.978 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.718 ' HB3' HD13 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.67 120.88 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 72.1 m -127.65 69.64 76.01 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.628 0.251 . . . . 0.0 111.298 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.607 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 35.0 Cg_endo -65.11 145.12 83.99 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.328 2.019 . . . . 0.0 111.797 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -132.43 149.73 52.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.143 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.749 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.453 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.44 140.62 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.415 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.61 136.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.4 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.506 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.52 119.27 11.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.712 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.27 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.589 0.233 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.569 HD22 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.49 136.54 48.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 111.009 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD13 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 120.83 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.304 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 72.5 m -127.9 69.69 77.01 Favored Pre-proline 0 C--O 1.233 0.19 0 CA-C-O 120.605 0.24 . . . . 0.0 111.182 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.5 Cg_endo -65.46 145.19 82.08 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.369 2.046 . . . . 0.0 111.69 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' F' ' 3' ' ' ILE . 5.7 m-85 -132.7 148.99 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.749 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.477 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.5 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.32 140.94 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -142.59 135.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.155 0.503 . . . . 0.0 111.447 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.48 119.4 11.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.52 31.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.643 0.259 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' G' ' 5' ' ' ALA . 0.6 OUTLIER -131.44 136.49 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.705 HD13 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.94 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.337 179.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 73.0 m -127.87 69.21 76.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.621 0.248 . . . . 0.0 111.277 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.639 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.8 Cg_endo -65.2 145.12 83.46 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.309 2.006 . . . . 0.0 111.727 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD13 ' G' ' 3' ' ' ILE . 6.2 m-85 -133.11 148.68 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.778 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.477 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.39 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.309 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 52.5 mt -139.51 137.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.211 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.09 119.15 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.642 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.72 31.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.558 0.218 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' H' ' 5' ' ' ALA . 0.6 OUTLIER -131.4 136.9 48.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.03 121.28 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 73.7 m -128.34 71.23 79.82 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.705 0.288 . . . . 0.0 111.347 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.639 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -67.53 144.29 66.26 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.415 2.077 . . . . 0.0 111.813 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -133.17 147.82 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.778 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.789 0.328 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.3 38.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.351 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.52 HD13 ' HB2' ' I' ' 8' ' ' SER . 43.3 mt -138.69 135.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.86 118.9 11.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.937 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.19 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.42 136.48 49.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.08 121.61 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.76 -179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.72 70.89 66.32 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.301 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.492 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.5 Cg_endo -66.43 142.53 65.97 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.538 2.158 . . . . 0.0 111.447 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -133.67 151.03 51.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.752 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.576 179.4 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.299 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.513 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' J' ' 8' ' ' SER . 45.8 mt -138.33 136.18 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -140.9 118.61 11.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.819 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.49 ' HB1' HD22 ' J' ' 6' ' ' LEU . . . -142.6 137.7 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.48 48.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.675 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.08 121.44 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -125.61 70.62 65.09 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-O 120.61 0.243 . . . . 0.0 111.372 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 36.4 Cg_endo -65.23 143.98 79.35 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.296 1.997 . . . . 0.0 111.264 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.59 149.6 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.666 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.286 179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.715 0.293 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.26 37.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.503 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' K' ' 8' ' ' SER . 42.3 mt -137.57 136.06 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.09 118.55 11.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.778 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.478 ' HB1' HD22 ' K' ' 6' ' ' LEU . . . -142.65 137.75 30.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.166 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.2 136.41 48.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.803 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.39 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.61 70.38 64.67 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.573 0.225 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.6 Cg_endo -65.11 144.34 81.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.152 1.901 . . . . 0.0 111.336 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -133.34 147.96 51.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 111.618 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.465 -0.779 . . . . 0.0 111.211 179.707 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.471 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.42 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.431 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' L' ' 8' ' ' SER . 47.3 mt -137.84 136.34 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.13 118.4 11.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.882 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.538 ' HB1' HD22 ' L' ' 6' ' ' LEU . . . -142.89 137.15 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.282 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.51 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.798 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.716 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.44 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.52 69.37 62.15 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.427 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.0 Cg_endo -64.85 144.29 82.74 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.302 2.001 . . . . 0.0 111.171 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -132.84 148.58 52.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 111.542 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.149 179.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.715 0.293 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.26 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.535 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.7 mt -137.74 135.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.23 118.36 11.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' M' ' 6' ' ' LEU . . . -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.1 121.32 14.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -125.79 69.14 63.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.597 0.237 . . . . 0.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.492 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.2 Cg_endo -65.02 143.41 78.69 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.339 2.026 . . . . 0.0 111.132 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.25 148.88 52.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.645 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.404 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 19.9 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.033 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.629 0.252 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.32 37.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' N' ' 8' ' ' SER . 52.6 mt -137.15 135.75 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.18 118.24 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.802 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.563 ' HB1' HD22 ' N' ' 6' ' ' LEU . . . -143.03 137.88 29.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.2 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.8 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.19 121.33 14.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.06 69.08 65.72 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-N 116.735 -0.212 . . . . 0.0 111.325 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.492 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.9 Cg_endo -65.64 143.51 75.02 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.361 2.04 . . . . 0.0 111.169 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.98 148.51 52.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.558 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.443 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 18.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.093 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.465 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 140.19 37.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.385 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' O' ' 8' ' ' SER . 46.8 mt -137.51 135.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.18 118.49 11.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.978 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.598 ' HB1' HD22 ' O' ' 6' ' ' LEU . . . -142.81 138.08 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.176 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.69 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.53 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.32 68.65 66.89 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.483 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 38.2 Cg_endo -65.54 143.11 74.17 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.368 2.045 . . . . 0.0 111.067 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.08 147.96 51.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 111.74 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 21.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.093 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.459 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.0 37.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.6 mt -136.99 134.86 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.71 118.23 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.971 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.681 ' HB1' HD22 ' P' ' 6' ' ' LEU . . . -143.0 138.0 29.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.336 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.57 136.26 47.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.677 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.25 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.13 68.4 64.86 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.532 0.206 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.55 ' HB2' HG23 ' O' ' 2' ' ' THR . 40.6 Cg_endo -65.68 141.24 65.4 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.284 1.989 . . . . 0.0 111.133 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.48 148.12 50.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.383 . . . . 0.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 13.2 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.63 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.43 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -137.9 135.9 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.434 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.8 118.86 11.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 138.15 31.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.434 HD22 HD23 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.65 136.15 47.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 121.14 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.218 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.52 ' HB2' HD13 ' A' ' 3' ' ' ILE . 1.3 m -125.49 69.25 61.7 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 120.61 0.243 . . . . 0.0 111.193 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.7 Cg_endo -64.66 143.72 81.9 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 111.81 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.9 m-85 -129.68 150.88 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.531 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 17.9 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.026 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.415 ' H2 ' ' HD1' ' K' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 140.69 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mt -138.59 136.82 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.297 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.41 119.06 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.609 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.21 138.25 31.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.593 0.235 . . . . 0.0 111.059 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.49 HD22 ' HB1' ' B' ' 5' ' ' ALA . 0.6 OUTLIER -131.6 136.57 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.97 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 0.543 ' HB2' HD13 ' B' ' 3' ' ' ILE . 1.4 m -125.95 70.24 66.84 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 36.6 Cg_endo -65.99 144.25 75.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.338 2.026 . . . . 0.0 111.659 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.64 149.81 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.39 . . . . 0.0 111.35 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' I' ' 11' ' ' SER . 24.0 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.415 ' HD1' ' H2 ' ' J' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.56 140.68 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.439 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 mt -138.94 137.22 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.478 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.3 119.11 11.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.663 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.24 137.77 30.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.554 0.216 . . . . 0.0 111.003 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.485 HD22 HD23 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.47 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 111.032 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.68 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.66 120.88 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.494 ' HB2' HD13 ' C' ' 3' ' ' ILE . 1.2 m -125.65 69.57 63.52 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-O 120.67 0.271 . . . . 0.0 111.233 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.4 Cg_endo -65.38 145.04 82.23 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.271 1.98 . . . . 0.0 111.73 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.471 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.8 m-85 -131.87 149.48 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.307 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.526 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 35.1 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.96 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.792 0.33 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.65 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.477 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -139.76 137.0 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.394 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.32 119.19 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.659 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.26 137.63 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.594 0.235 . . . . 0.0 111.063 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.538 HD22 ' HB1' ' D' ' 5' ' ' ALA . 0.6 OUTLIER -131.4 136.51 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.968 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.654 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 121.09 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.338 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.523 ' HB2' HD13 ' D' ' 3' ' ' ILE . 1.2 m -125.99 70.03 66.76 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.656 0.265 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -65.8 144.71 78.47 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.405 2.07 . . . . 0.0 111.756 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -131.93 149.13 52.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.264 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 32.0 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.02 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.22 140.57 37.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.528 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.35 137.12 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.443 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.492 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.45 119.24 11.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.617 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.31 137.32 30.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.553 0.216 . . . . 0.0 111.091 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.563 HD22 ' HB1' ' E' ' 5' ' ' ALA . 0.6 OUTLIER -131.39 136.42 48.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.91 0.385 . . . . 0.0 110.914 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.654 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 121.02 14.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.387 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.507 ' HB2' HD13 ' E' ' 3' ' ' ILE . 1.3 m -126.05 70.18 67.45 Favored Pre-proline 0 C--O 1.232 0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 111.21 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.565 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.8 Cg_endo -66.0 145.18 78.87 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.387 2.058 . . . . 0.0 111.749 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.447 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.9 m-85 -132.58 149.01 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' L' ' 11' ' ' SER . 38.1 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.407 ' H2 ' ' HD1' ' O' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.291 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.73 38.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.648 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -140.98 136.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.313 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.46 119.31 11.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.34 30.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.619 0.247 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.563 HD22 ' HB1' ' F' ' 5' ' ' ALA . 0.6 OUTLIER -131.38 136.27 47.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 120.87 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' F' ' 3' ' ' ILE . 1.3 m -125.81 69.81 65.12 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.593 0.235 . . . . 0.0 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.623 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.9 Cg_endo -65.53 145.22 81.74 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.413 2.076 . . . . 0.0 111.712 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.9 m-85 -133.29 148.26 51.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.159 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.467 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 36.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.457 -0.782 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.407 ' HD1' ' H2 ' ' N' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.747 0.308 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.55 HG23 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.05 140.77 40.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.754 -179.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -142.26 135.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.457 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.41 119.24 11.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.622 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.51 30.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.566 0.222 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.598 HD22 ' HB1' ' G' ' 5' ' ' ALA . 0.6 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 120.88 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.518 ' HB2' HD13 ' G' ' 3' ' ' ILE . 1.2 m -125.94 69.47 65.45 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 111.221 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.67 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 35.4 Cg_endo -65.59 145.35 81.76 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.404 2.069 . . . . 0.0 111.762 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.459 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 6.4 m-85 -133.68 147.95 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.099 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' N' ' 11' ' ' SER . 50.3 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.138 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.69 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 mt -139.09 137.4 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.99 119.22 12.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.792 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.61 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.543 0.211 . . . . 0.0 111.21 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.681 HD22 ' HB1' ' H' ' 5' ' ' ALA . 0.6 OUTLIER -131.25 136.63 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 110.85 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.623 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.05 121.32 14.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' H' ' 3' ' ' ILE . 1.2 m -126.3 70.88 70.31 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.695 0.284 . . . . 0.0 111.197 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.67 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.9 Cg_endo -66.79 144.88 73.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.461 2.107 . . . . 0.0 111.793 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -133.76 147.07 51.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.237 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.465 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 51.1 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.794 . . . . 0.0 111.079 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.6 140.28 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.497 HD12 ' HB2' ' I' ' 8' ' ' SER . 44.8 mt -139.35 135.31 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.21 138.7 31.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.38 136.61 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.74 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.809 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.24 121.55 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.375 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -125.61 69.43 62.95 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.617 0.246 . . . . 0.0 111.395 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 36.6 Cg_endo -65.07 141.28 69.31 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.614 2.21 . . . . 0.0 111.507 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.467 ' N ' HG23 ' I' ' 2' ' ' THR . 5.3 m-85 -134.45 152.53 51.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.901 0.382 . . . . 0.0 111.531 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.617 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.486 -0.769 . . . . 0.0 111.455 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.699 0.285 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 140.46 38.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.46 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.498 HD12 ' HB2' ' J' ' 8' ' ' SER . 47.9 mt -138.59 135.88 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.779 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.43 138.2 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.227 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.41 136.51 48.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.721 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.837 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.41 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -125.4 69.68 61.84 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.581 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 33.9 Cg_endo -64.55 142.91 79.87 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.214 1.942 . . . . 0.0 111.413 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.438 ' H ' HG23 ' J' ' 2' ' ' THR . 5.1 m-85 -134.73 150.58 50.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.954 0.407 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.382 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.498 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.689 0.28 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.39 37.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.388 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.471 HD12 ' HB2' ' K' ' 8' ' ' SER . 47.7 mt -138.36 135.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.14 118.69 11.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.854 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 137.78 30.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.148 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.34 136.45 48.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.704 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.837 HD13 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.51 14.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -125.86 68.54 63.06 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-O 120.619 0.247 . . . . 0.0 111.382 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 31.7 Cg_endo -63.75 143.37 86.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.329 2.019 . . . . 0.0 111.36 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.439 ' H ' HG23 ' K' ' 2' ' ' THR . 5.0 m-85 -134.29 150.02 50.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 111.504 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.369 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.474 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.724 0.297 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.42 37.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.343 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.483 HD12 ' HB2' ' L' ' 8' ' ' SER . 48.0 mt -138.3 135.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.15 118.74 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.864 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.56 138.33 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.271 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.429 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.71 136.7 47.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.43 14.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.2 m -126.02 69.3 65.78 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.567 0.222 . . . . 0.0 111.277 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.586 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.5 Cg_endo -65.06 143.04 77.09 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.23 1.953 . . . . 0.0 111.318 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.413 ' H ' HG23 ' L' ' 2' ' ' THR . 5.0 m-85 -133.2 149.69 52.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.532 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.568 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.219 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.53 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.692 0.282 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 140.24 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.328 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' M' ' 8' ' ' SER . 48.0 mt -137.53 135.54 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.18 118.52 11.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.813 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.81 138.17 30.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.262 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.429 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.63 136.42 47.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.51 14.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -126.14 68.82 65.81 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.514 0.197 . . . . 0.0 111.327 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.586 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.6 Cg_endo -64.92 143.46 79.5 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.325 2.017 . . . . 0.0 111.229 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -133.46 150.12 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.861 0.362 . . . . 0.0 111.395 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.566 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.437 -0.792 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.484 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.686 0.279 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.19 37.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.356 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' N' ' 8' ' ' SER . 47.1 mt -137.92 135.42 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.2 118.55 11.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.69 138.1 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.49 136.52 47.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.36 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 47.8 m -125.84 68.63 63.07 Favored Pre-proline 0 C--O 1.233 0.191 0 CA-C-O 120.585 0.231 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.495 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 37.4 Cg_endo -65.2 142.16 72.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.301 2.001 . . . . 0.0 111.111 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.66 150.68 52.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 111.536 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.039 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.471 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.22 37.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.28 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.477 HD12 ' HB2' ' O' ' 8' ' ' SER . 50.0 mt -137.47 135.4 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.28 118.58 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.84 138.43 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.274 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.7 136.45 47.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.788 HD13 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.56 121.4 14.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -125.85 68.08 61.89 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.346 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.495 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -64.92 141.72 72.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.331 2.02 . . . . 0.0 111.185 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.89 150.33 52.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 111.6 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.524 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.056 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.443 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.757 0.313 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.8 140.24 38.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.388 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' P' ' 8' ' ' SER . 47.4 mt -137.93 134.5 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.15 0.5 . . . . 0.0 111.197 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.4 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.46 ' HB2' HD23 ' P' ' 6' ' ' LEU . . . -142.84 138.3 30.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.28 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.66 136.04 47.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.05 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.46 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 40.2 m -125.75 67.25 59.2 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 36.9 Cg_endo -64.35 140.46 70.31 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.236 1.957 . . . . 0.0 111.264 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -128.45 151.84 48.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.804 0.335 . . . . 0.0 111.694 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.482 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.153 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.687 0.28 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.67 140.69 38.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.305 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.8 mt -138.74 135.39 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.519 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.89 118.81 11.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.93 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.188 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.468 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.72 136.09 47.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.825 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.17 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.277 179.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.497 ' HB2' HD12 ' A' ' 3' ' ' ILE . 49.0 m -125.88 68.51 63.1 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.8 Cg_endo -64.02 142.98 83.52 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.336 2.024 . . . . 0.0 111.823 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -130.6 152.87 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 111.446 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.46 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.438 HG23 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.51 37.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 45.3 mt -138.72 136.26 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.341 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.454 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.13 119.24 12.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.617 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.58 31.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.611 0.243 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.468 ' HG ' ' HA ' ' I' ' 6' ' ' LEU . 0.8 OUTLIER -131.48 136.48 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.038 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.825 ' HB3' HD13 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.98 13.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 0.498 ' HB2' HD12 ' B' ' 3' ' ' ILE . 44.0 m -126.03 69.35 65.94 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-O 120.619 0.247 . . . . 0.0 111.174 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.592 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.6 Cg_endo -65.19 143.7 78.64 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.387 2.058 . . . . 0.0 111.717 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -131.9 151.75 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 111.285 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.499 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.439 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.54 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 mt -139.48 136.47 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.503 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.39 119.06 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.631 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.15 138.76 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.616 0.246 . . . . 0.0 110.925 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.446 ' HA ' ' HG ' ' L' ' 6' ' ' LEU . 0.8 OUTLIER -131.64 136.29 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.0 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD13 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.07 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.384 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.471 ' HB2' HD12 ' C' ' 3' ' ' ILE . 51.0 m -126.56 68.96 69.37 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.633 0.254 . . . . 0.0 111.184 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.626 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 32.8 Cg_endo -64.77 144.54 83.99 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.325 2.017 . . . . 0.0 111.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.474 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.7 m-85 -132.96 150.74 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.221 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.413 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.49 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.339 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.48 136.55 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.49 119.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.751 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.87 31.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.571 0.224 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.446 ' HG ' ' HA ' ' K' ' 6' ' ' LEU . 0.7 OUTLIER -131.47 136.42 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.971 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.57 121.08 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.341 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.483 ' HB2' HD12 ' D' ' 3' ' ' ILE . 48.2 m -125.72 68.78 62.47 Favored Pre-proline 0 N--CA 1.456 -0.159 0 CA-C-O 120.667 0.27 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.7 Cg_endo -64.5 144.72 85.98 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.393 2.062 . . . . 0.0 111.696 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.53 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.6 m-85 -134.11 150.72 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.244 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.596 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.42 ' H3 ' ' HA ' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.752 0.31 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.78 37.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.546 -179.477 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.58 136.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.524 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.37 119.25 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.66 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.13 31.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.58 0.229 . . . . 0.0 111.052 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.457 ' HA ' ' HG ' ' N' ' 6' ' ' LEU . 0.7 OUTLIER -131.36 136.22 47.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.922 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.771 HD13 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.96 13.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.49 ' HB2' HD12 ' E' ' 3' ' ' ILE . 34.5 m -126.2 68.56 65.73 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 111.183 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.635 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.3 Cg_endo -64.33 144.95 87.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.314 2.01 . . . . 0.0 111.819 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.484 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.7 m-85 -134.19 150.56 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.203 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.596 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.42 ' HA ' ' H3 ' ' M' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.2 140.56 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 -179.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -140.98 136.68 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.152 0.501 . . . . 0.0 111.502 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.58 119.12 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.648 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.86 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.556 0.217 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' HA ' ' M' ' 6' ' ' LEU . 0.8 OUTLIER -131.54 136.26 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.072 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD13 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.93 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.474 ' HB2' HD12 ' F' ' 3' ' ' ILE . 38.5 m -125.97 68.63 64.12 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.666 0.27 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.635 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 31.6 Cg_endo -64.23 145.18 88.42 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.364 2.043 . . . . 0.0 111.724 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.471 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.7 m-85 -134.6 149.89 50.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.26 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.612 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.407 ' HA ' ' H3 ' ' N' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.754 0.312 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.516 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.89 140.75 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.65 -179.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.59 136.03 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.48 119.14 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.749 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 138.38 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.476 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.13 47.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.908 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 120.75 13.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.454 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.477 ' HB2' HD12 ' G' ' 3' ' ' ILE . 41.2 m -125.77 68.51 62.26 Favored Pre-proline 0 C--O 1.232 0.163 0 CA-C-O 120.651 0.263 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.6 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.28 145.23 88.25 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.333 2.022 . . . . 0.0 111.646 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.443 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 5.8 m-85 -135.48 149.61 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.093 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.063 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.65 38.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.364 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -139.89 137.23 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.16 119.42 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 138.85 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.611 0.243 . . . . 0.0 111.276 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.472 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.52 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.73 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.12 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.447 ' HB2' HD12 ' H' ' 3' ' ' ILE . 47.4 m -126.57 70.04 70.95 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.307 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.6 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.3 Cg_endo -66.6 143.22 67.63 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.408 2.072 . . . . 0.0 111.868 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -134.34 148.51 50.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.65 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.539 -0.743 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mt -138.39 135.32 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.06 12.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.24 137.74 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.236 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.5 136.44 48.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.852 0.358 . . . . 0.0 110.578 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.82 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.48 121.48 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.43 71.63 71.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.756 0.312 . . . . 0.0 111.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.3 Cg_endo -65.83 142.94 71.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.525 2.15 . . . . 0.0 111.5 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -134.65 151.48 51.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 111.618 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.539 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.444 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.36 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 111.515 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -138.16 135.25 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.08 118.9 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.32 138.29 31.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.267 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.22 136.5 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.734 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.5 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.09 70.62 68.49 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.627 0.251 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.601 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.6 Cg_endo -64.51 143.89 83.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.334 2.023 . . . . 0.0 111.349 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -134.86 149.52 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 111.621 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.388 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.46 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.69 135.13 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.526 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.66 11.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.864 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.4 138.37 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.261 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.5 48.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.823 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.39 121.33 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -126.32 69.68 68.63 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.597 0.237 . . . . 0.0 111.362 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.4 Cg_endo -64.1 144.37 87.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.419 2.079 . . . . 0.0 111.407 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.23 149.62 50.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 0.0 111.557 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.187 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.67 0.272 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.16 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.439 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -137.65 135.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.3 118.79 11.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.47 138.22 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.235 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.3 136.54 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.823 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 121.35 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.3 70.0 68.98 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.634 0.254 . . . . 0.0 111.329 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.605 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.71 143.26 80.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.338 2.026 . . . . 0.0 111.39 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -132.71 148.46 52.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 0.0 111.787 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.645 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.198 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.467 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.751 0.31 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.42 37.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.453 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' M' ' 10' ' ' TYR . 51.8 mt -137.77 134.98 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.31 118.77 11.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.837 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.52 138.46 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.316 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.4 48.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.48 121.47 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -126.57 69.89 70.79 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.372 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.605 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.2 Cg_endo -64.75 143.23 79.74 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.328 2.019 . . . . 0.0 111.443 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.28 148.28 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.585 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.637 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.157 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.61 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.361 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.6 mt -137.98 135.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.546 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.24 118.68 11.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.54 138.04 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.288 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.56 136.36 47.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.818 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.785 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.56 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -126.16 69.37 66.97 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 35.9 Cg_endo -64.63 142.4 77.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 0.0 111.269 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -130.78 149.09 52.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.897 0.38 . . . . 0.0 111.564 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.649 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 111.198 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.516 ' HD1' ' H1 ' ' H' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.663 0.268 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.31 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.411 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.3 mt -137.8 135.62 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.37 118.74 11.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.773 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' H' ' 5' ' ' ALA . . . -142.6 137.84 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.324 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.38 136.37 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.984 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.728 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.59 14.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.69 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -126.62 69.12 70.03 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.562 0.22 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.472 ' HB2' HG21 ' N' ' 2' ' ' THR . 37.1 Cg_endo -64.86 142.72 77.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.367 2.045 . . . . 0.0 111.255 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.58 148.78 52.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.877 0.37 . . . . 0.0 111.658 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.649 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.022 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.516 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.37 37.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' P' ' 10' ' ' TYR . 54.3 mt -137.45 134.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.79 118.55 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.424 ' O ' ' HA ' ' G' ' 5' ' ' ALA . . . -142.83 138.43 30.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.425 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 136.06 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.19 121.52 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.516 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -126.39 68.25 66.52 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.529 ' HB2' HG21 ' O' ' 2' ' ' THR . 36.1 Cg_endo -63.99 140.74 74.09 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.341 2.027 . . . . 0.0 111.107 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -128.18 149.45 50.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.841 0.353 . . . . 0.0 111.764 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.566 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.093 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.64 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 mt -137.61 135.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.34 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.85 119.03 12.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.77 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.64 31.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.259 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.66 135.54 46.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.171 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.15 121.18 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.345 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -126.27 69.42 67.85 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.229 . . . . 0.0 111.329 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.638 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.3 Cg_endo -63.93 144.45 88.11 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.81 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.444 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -131.16 151.29 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.376 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.514 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.43 140.77 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.419 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.18 136.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.18 119.22 11.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.618 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.27 138.22 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.622 0.248 . . . . 0.0 111.144 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.453 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.45 136.44 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.8 121.08 13.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.473 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.6 m -126.39 70.12 69.78 Favored Pre-proline 0 C--O 1.231 0.118 0 CA-C-O 120.721 0.296 . . . . 0.0 111.24 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.638 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 34.1 Cg_endo -64.82 145.05 85.41 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.407 2.071 . . . . 0.0 111.783 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.5 m-85 -132.71 150.04 52.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.693 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.412 ' H1 ' ' HD1' ' L' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.749 0.309 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.58 140.76 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.396 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -138.57 136.34 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.331 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.31 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.692 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.35 138.03 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.545 0.212 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.48 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.43 136.47 48.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 121.01 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -126.18 70.05 68.21 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.617 0.246 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.539 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 35.2 Cg_endo -65.19 144.61 81.87 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.336 2.024 . . . . 0.0 111.765 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.6 m-85 -132.32 149.71 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.693 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.065 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.436 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.683 0.277 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.83 140.71 36.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -138.86 136.59 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.53 119.1 11.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.564 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.2 137.82 31.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.563 0.22 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.458 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.42 136.34 47.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.99 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.37 70.13 69.7 Favored Pre-proline 0 CA--C 1.528 0.123 0 CA-C-O 120.591 0.234 . . . . 0.0 111.202 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.3 Cg_endo -65.21 145.22 83.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.368 2.045 . . . . 0.0 111.62 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.467 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -133.28 149.01 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.033 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.436 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.814 0.34 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.428 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.71 140.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.57 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 53.1 mt -139.45 136.5 40.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.45 119.42 11.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.624 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.68 30.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.548 0.214 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.507 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.13 136.11 48.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.78 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.73 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.96 13.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.673 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -126.3 69.72 68.51 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.625 0.25 . . . . 0.0 111.181 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.611 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.79 145.12 85.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.325 2.017 . . . . 0.0 111.758 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.6 m-85 -133.74 148.73 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.055 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.685 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.377 -0.821 . . . . 0.0 110.987 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.472 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.57 140.85 37.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.686 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -140.85 136.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.457 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.55 119.23 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.693 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 138.34 32.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.566 0.222 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.488 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.26 47.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.019 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.73 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.96 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.442 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.29 69.1 67.49 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-O 120.617 0.246 . . . . 0.0 111.354 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.611 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.6 Cg_endo -64.14 145.27 88.97 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.351 2.034 . . . . 0.0 111.889 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.451 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.8 m-85 -133.92 148.4 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.715 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.155 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.47 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.746 0.308 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.529 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.47 140.8 37.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.764 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 57.6 mt -141.07 135.89 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.507 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.62 119.51 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.663 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.8 137.81 31.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.672 0.272 . . . . 0.0 111.226 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.521 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.27 136.19 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.864 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 120.89 13.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.363 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.32 69.75 68.73 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-O 120.718 0.294 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.702 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.9 Cg_endo -64.78 145.22 85.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.386 2.057 . . . . 0.0 111.791 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' G' ' 3' ' ' ILE . 5.9 m-85 -134.57 148.13 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.718 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.47 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.44 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.45 137.1 40.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.281 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.22 119.56 12.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.746 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.91 138.19 31.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.338 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.469 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.24 136.34 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.754 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.32 14.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.586 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 7.5 m -127.26 71.96 76.74 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.739 0.304 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.702 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.7 Cg_endo -67.41 143.28 62.91 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.387 2.058 . . . . 0.0 112.012 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . 0.414 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.4 m-85 -132.93 147.25 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.718 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.15 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.703 0.287 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 136.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.451 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 3' ' ' ILE . 5.0 mt -143.05 132.31 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.11 119.06 12.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' B' ' 5' ' ' ALA . . . -141.92 126.78 18.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.59 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 1.7 pp -129.46 136.33 49.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.421 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.754 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.27 121.79 36.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.305 -179.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -117.92 72.62 8.75 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.748 ' HG3' ' HB3' ' I' ' 4' ' ' ALA . 32.8 Cg_exo -61.66 143.31 96.48 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.721 2.281 . . . . 0.0 112.14 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' B' ' 9' ' ' PRO . 1.8 m-85 -135.87 139.48 43.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.417 ' OXT' ' HB3' ' B' ' 11' ' ' SER . 10.8 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.596 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.707 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.42 137.51 35.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.366 . . . . 0.0 111.512 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.627 HG12 ' HB ' ' C' ' 3' ' ' ILE . 3.4 mt -143.04 132.68 21.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.11 118.79 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.096 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.437 ' HB1' HD23 ' J' ' 6' ' ' LEU . . . -141.92 124.77 16.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.59 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 1.7 pp -128.04 136.22 50.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -123.44 121.43 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.327 -179.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -117.61 72.59 7.85 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.881 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.809 ' HG3' ' HB3' ' J' ' 4' ' ' ALA . 35.8 Cg_exo -60.81 145.05 99.58 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.687 2.258 . . . . 0.0 112.099 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -137.32 138.27 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.456 ' HB2' ' OG1' ' J' ' 2' ' ' THR . 11.9 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.533 ' HB2' ' HE2' ' J' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.7 137.23 34.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.414 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.627 ' HB ' HG12 ' B' ' 3' ' ' ILE . 4.0 mt -143.09 132.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -140.2 118.81 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.137 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.85 125.14 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' HB2' ' D' ' 6' ' ' LEU . 1.6 pp -128.32 136.08 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.48 121.64 36.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.329 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -118.0 72.27 8.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.944 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.754 ' HG3' ' HB3' ' K' ' 4' ' ' ALA . 38.4 Cg_exo -60.37 145.41 98.7 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.732 2.288 . . . . 0.0 112.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -137.56 136.82 37.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 9.9 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.889 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.555 ' HB2' ' HE2' ' K' ' 10' ' ' TYR . 12.9 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.657 0.265 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.64 137.51 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.62 HG12 ' HB ' ' E' ' 3' ' ' ILE . 4.9 mt -143.22 132.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -140.23 118.7 12.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.041 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' E' ' 5' ' ' ALA . . . -141.93 126.17 17.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.49 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 1.6 pp -129.51 136.25 49.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.703 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -123.48 121.69 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.301 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -118.23 72.14 9.32 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.848 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.715 ' HG3' ' HB3' ' L' ' 4' ' ' ALA . 35.0 Cg_exo -60.9 145.31 99.24 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.714 2.276 . . . . 0.0 112.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.91 137.12 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.922 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.411 ' HB2' ' HE2' ' L' ' 10' ' ' TYR . 14.0 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.807 0.336 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 137.4 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.353 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.62 ' HB ' HG12 ' D' ' 3' ' ' ILE . 4.6 mt -143.11 132.38 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -140.14 118.51 12.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.063 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' F' ' 5' ' ' ALA . . . -142.04 124.94 16.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.49 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 1.6 pp -128.67 136.22 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.631 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -123.68 121.46 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.205 -179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -118.11 72.62 9.28 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.667 ' HG3' ' HB3' ' M' ' 4' ' ' ALA . 31.6 Cg_exo -61.39 145.23 98.39 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.81 2.34 . . . . 0.0 112.077 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.16 137.11 40.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.899 179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.491 ' HB2' ' HE2' ' M' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.733 0.301 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 137.46 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.389 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.58 HG12 ' HB ' ' G' ' 3' ' ' ILE . 5.0 mt -143.31 132.51 20.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -140.25 118.55 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.118 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' G' ' 5' ' ' ALA . . . -141.94 125.1 16.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 1.7 pp -128.72 136.04 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.51 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -123.58 121.58 35.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.157 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -118.2 72.28 9.33 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.622 ' HD2' ' HA ' ' E' ' 9' ' ' PRO . 29.5 Cg_exo -61.31 145.09 98.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.786 2.324 . . . . 0.0 111.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.77 135.94 40.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 9.3 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 137.71 35.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.58 ' HB ' HG12 ' F' ' 3' ' ' ILE . 5.3 mt -142.99 132.24 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -140.09 118.24 11.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.032 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.473 ' O ' ' HA ' ' F' ' 5' ' ' ALA . . . -142.26 123.94 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.558 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 1.7 pp -128.48 136.18 50.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.489 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -123.49 121.66 36.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -117.98 72.1 8.6 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.72 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.625 ' HG3' ' HB3' ' O' ' 4' ' ' ALA . 28.5 Cg_exo -61.5 145.2 98.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.609 2.206 . . . . 0.0 111.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.5 136.33 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 10.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.599 0.237 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.59 137.92 35.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.278 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.585 HD13 ' HB3' ' P' ' 8' ' ' SER . 5.2 mt -142.97 131.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 111.232 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.27 118.37 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' G' ' 5' ' ' ALA . . . -142.51 124.12 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.942 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.551 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 1.7 pp -127.97 135.99 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.375 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.601 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -123.75 121.62 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.161 -179.362 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -118.38 71.66 9.43 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.549 ' HD2' ' HA ' ' G' ' 9' ' ' PRO . 27.2 Cg_exo -61.56 144.95 98.1 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.67 2.247 . . . . 0.0 111.799 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.45 135.57 42.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.941 0.4 . . . . 0.0 111.358 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 8.6 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.745 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.697 0.284 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 138.14 35.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' J' ' 3' ' ' ILE . 7.5 mt -143.56 133.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 111.513 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.748 ' HB3' ' HG3' ' A' ' 9' ' ' PRO . . . -140.79 118.66 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HB2' ' J' ' 5' ' ' ALA . . . -142.76 121.46 12.6 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.467 ' HB2' ' HG ' ' J' ' 6' ' ' LEU . 1.8 pp -125.78 136.59 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.471 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.484 ' C ' ' HD3' ' I' ' 9' ' ' PRO . 0.0 OUTLIER -123.06 122.39 38.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.372 -179.055 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -116.98 72.16 5.87 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.73 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.484 ' HD3' ' C ' ' I' ' 7' ' ' LEU . 35.3 Cg_exo -59.95 145.4 98.43 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.642 2.228 . . . . 0.0 112.259 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.596 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 1.9 m-85 -136.03 138.32 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.353 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.585 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 8.9 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.645 0.259 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.456 ' OG1' ' HB2' ' B' ' 11' ' ' SER . 0.2 OUTLIER -139.61 138.3 36.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . 0.619 ' HB ' HG12 ' K' ' 3' ' ' ILE . 7.4 mt -143.77 133.75 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.303 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.809 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -140.7 118.86 11.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' I' ' 5' ' ' ALA . . . -142.67 119.71 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' I' ' 6' ' ' LEU . 1.8 pp -124.95 136.4 53.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.723 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.496 ' C ' ' HD3' ' J' ' 9' ' ' PRO . 0.0 OUTLIER -122.22 122.21 38.62 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.351 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 0.474 ' HB3' HD13 ' B' ' 3' ' ' ILE . 55.8 m -116.88 72.08 5.69 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.652 179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.496 ' HD3' ' C ' ' J' ' 7' ' ' LEU . 39.3 Cg_exo -60.46 145.49 98.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.656 2.237 . . . . 0.0 112.201 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.533 ' HE2' ' HB2' ' C' ' 1' ' ' TYR . 1.9 m-85 -136.83 137.91 40.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.585 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.1 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.738 0.304 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.6 138.11 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . 0.619 HG12 ' HB ' ' J' ' 3' ' ' ILE . 7.3 mt -143.73 133.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 0.0 111.22 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.754 ' HB3' ' HG3' ' C' ' 9' ' ' PRO . . . -140.57 118.76 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.6 120.53 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.453 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . 1.8 pp -125.81 136.21 52.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 110.636 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.487 ' C ' ' HD3' ' K' ' 9' ' ' PRO . 0.0 OUTLIER -122.37 122.3 38.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.491 -179.224 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.486 ' HB3' HD13 ' C' ' 3' ' ' ILE . 58.5 m -117.07 71.86 5.95 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.876 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.487 ' HD3' ' C ' ' K' ' 7' ' ' LEU . 39.1 Cg_exo -60.68 145.51 98.77 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.639 2.226 . . . . 0.0 112.286 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HB2' ' D' ' 1' ' ' TYR . 1.9 m-85 -136.69 138.35 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.86 137.95 35.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.664 ' HB ' HG12 ' M' ' 3' ' ' ILE . 7.7 mt -143.62 133.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.157 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.715 ' HB3' ' HG3' ' D' ' 9' ' ' PRO . . . -140.76 118.67 11.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.299 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.57 122.13 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.453 ' HG ' ' HB2' ' K' ' 6' ' ' LEU . 1.8 pp -127.27 136.33 51.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.488 ' C ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -122.63 122.14 38.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.395 -179.187 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.516 ' HB3' HD13 ' D' ' 3' ' ' ILE . 58.8 m -117.39 72.23 7.02 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.719 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.54 ' HD2' ' HA ' ' M' ' 9' ' ' PRO . 39.6 Cg_exo -60.65 145.58 98.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.74 2.293 . . . . 0.0 112.241 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.411 ' HE2' ' HB2' ' E' ' 1' ' ' TYR . 1.8 m-85 -137.06 137.28 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 9.2 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' M' M ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.81 138.04 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . 0.664 HG12 ' HB ' ' L' ' 3' ' ' ILE . 7.9 mt -143.55 134.36 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.667 ' HB3' ' HG3' ' E' ' 9' ' ' PRO . . . -140.61 118.76 11.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.348 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 121.93 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.457 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . 1.7 pp -127.65 136.11 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.609 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.491 ' C ' ' HD3' ' M' ' 9' ' ' PRO . 0.0 OUTLIER -122.86 121.99 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.502 ' HB3' HD13 ' E' ' 3' ' ' ILE . 58.6 m -117.0 72.34 5.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.796 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.599 ' HD2' ' HA ' ' N' ' 9' ' ' PRO . 36.0 Cg_exo -61.06 145.36 99.07 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.491 ' HE2' ' HB2' ' F' ' 1' ' ' TYR . 1.9 m-85 -137.19 137.45 39.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.435 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.166 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . 0.615 HG12 ' HB ' ' M' ' 3' ' ' ILE . 7.4 mt -143.44 133.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.205 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.615 ' HB3' ' HG3' ' F' ' 9' ' ' PRO . . . -140.52 118.73 12.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.61 125.09 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.457 ' HG ' ' HB2' ' M' ' 6' ' ' LEU . 1.8 pp -130.38 136.0 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.493 ' C ' ' HD3' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -122.96 121.97 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.48 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.547 ' HB3' HD13 ' F' ' 3' ' ' ILE . 57.1 m -117.27 71.98 6.56 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.629 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.641 ' HD2' ' HA ' ' O' ' 9' ' ' PRO . 39.5 Cg_exo -60.6 145.51 98.69 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.66 2.24 . . . . 0.0 112.208 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -137.25 137.62 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 10.6 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.9 137.87 35.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.286 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . 0.752 ' HB ' HG12 ' P' ' 3' ' ' ILE . 7.9 mt -143.56 134.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.625 ' HB3' ' HG3' ' G' ' 9' ' ' PRO . . . -140.38 118.48 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.87 124.66 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.446 ' HG ' ' HB2' ' N' ' 6' ' ' LEU . 1.8 pp -130.55 136.1 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.594 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.632 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -122.98 121.91 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.446 -179.176 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.575 ' HB3' HD13 ' G' ' 3' ' ' ILE . 60.6 m -116.92 71.04 5.3 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.71 ' HD2' ' HA ' ' P' ' 9' ' ' PRO . 33.9 Cg_exo -59.7 145.54 97.87 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.77 137.62 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.474 ' HB3' ' OXT' ' P' ' 11' ' ' SER . 11.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.644 0.259 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.74 137.42 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.372 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . 0.752 HG12 ' HB ' ' O' ' 3' ' ' ILE . 8.2 mt -143.57 133.43 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' H' ' 9' ' ' PRO . . . -139.19 118.13 12.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.241 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.92 125.8 16.14 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -131.21 136.28 48.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.362 . . . . 0.0 110.433 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.632 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -121.64 122.14 38.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.585 ' HB3' HD13 ' H' ' 3' ' ' ILE . 58.6 m -117.54 73.09 7.91 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.71 ' HA ' ' HD2' ' O' ' 9' ' ' PRO . 27.6 Cg_exo -62.33 144.93 95.89 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.766 2.311 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.9 137.93 38.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.716 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.474 ' OXT' ' HB3' ' O' ' 11' ' ' SER . 11.9 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.017 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.08 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 4' ' ' ALA . 25.6 mt -137.86 137.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.431 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -139.52 126.32 20.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.338 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.605 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 139.44 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.773 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.64 6.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.199 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.566 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 m -129.07 70.52 81.67 Favored Pre-proline 0 N--CA 1.457 -0.121 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.701 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.68 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -67.15 142.79 62.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.568 2.179 . . . . 0.0 112.213 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' N ' HG23 ' I' ' 2' ' ' THR . 16.2 m-85 -132.08 140.88 49.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.451 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.87 140.52 38.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.527 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.44 HG22 ' N ' ' B' ' 4' ' ' ALA . 25.4 mt -137.62 137.18 45.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . 0.44 ' N ' HG22 ' B' ' 3' ' ' ILE . . . -139.91 126.27 20.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.222 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.59 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.36 139.42 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.792 179.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.767 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.8 42.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.426 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.3 m -129.38 69.8 81.44 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.753 0.311 . . . . 0.0 110.706 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.68 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.0 Cg_endo -65.86 145.38 80.22 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.19 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.492 ' N ' HG23 ' J' ' 2' ' ' THR . 14.7 m-85 -133.45 139.42 46.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.541 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.693 0.282 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.36 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.434 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.441 HG22 ' N ' ' C' ' 4' ' ' ALA . 24.8 mt -138.05 136.98 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.441 ' N ' HG22 ' C' ' 3' ' ' ILE . . . -140.02 126.27 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.299 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.556 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.15 139.56 33.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 111.856 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.816 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.24 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.827 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 120.99 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.64 0.257 . . . . 0.0 110.431 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.52 69.09 81.19 Favored Pre-proline 0 N--CA 1.456 -0.153 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.654 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.2 Cg_endo -65.21 145.33 83.91 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.545 2.163 . . . . 0.0 112.164 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.485 ' H ' HG23 ' K' ' 2' ' ' THR . 14.7 m-85 -133.26 137.91 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.56 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.571 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.17 37.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.32 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.446 HG22 ' N ' ' D' ' 4' ' ' ALA . 30.2 mt -137.45 137.19 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.042 0.449 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . 0.446 ' N ' HG22 ' D' ' 3' ' ' ILE . . . -140.21 126.05 19.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.259 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.55 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.819 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.05 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD11 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.63 120.94 42.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.629 0.252 . . . . 0.0 110.524 179.193 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -129.53 69.5 81.4 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.1 Cg_endo -65.39 145.4 83.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.466 2.111 . . . . 0.0 111.922 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.458 ' H ' HG23 ' L' ' 2' ' ' THR . 13.6 m-85 -132.9 138.37 46.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.56 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.494 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.703 0.287 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.13 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.254 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.45 HG22 ' N ' ' E' ' 4' ' ' ALA . 28.8 mt -137.51 137.16 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . 0.45 ' N ' HG22 ' E' ' 3' ' ' ILE . . . -140.01 126.38 20.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.271 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.864 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.819 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.45 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.812 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.761 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.95 121.02 42.64 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.452 179.241 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -129.7 69.45 81.52 Favored Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.626 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.0 Cg_endo -66.02 145.34 79.21 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.375 2.05 . . . . 0.0 112.014 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.462 ' H ' HG23 ' M' ' 2' ' ' THR . 14.1 m-85 -132.66 138.11 47.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.651 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.51 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.721 0.296 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.31 37.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.433 HG22 ' N ' ' F' ' 4' ' ' ALA . 27.7 mt -137.84 136.9 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.257 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . 0.433 ' N ' HG22 ' F' ' 3' ' ' ILE . . . -140.1 126.46 20.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.254 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.605 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.41 139.09 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.873 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.813 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 102.88 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.522 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 120.99 42.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.649 0.262 . . . . 0.0 110.558 179.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -129.83 69.42 81.61 Favored Pre-proline 0 C--N 1.333 -0.113 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.609 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 37.1 Cg_endo -66.04 145.1 78.42 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.377 2.051 . . . . 0.0 111.836 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.442 ' H ' HG23 ' N' ' 2' ' ' THR . 13.3 m-85 -131.48 138.15 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.059 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 5.5 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.461 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.71 0.291 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.32 37.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.335 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.43 HG22 ' N ' ' G' ' 4' ' ' ALA . 35.5 mt -138.18 137.0 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . 0.43 ' N ' HG22 ' G' ' 3' ' ' ILE . . . -140.09 126.34 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.163 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.649 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.03 33.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 111.775 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.83 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.45 102.92 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.9 120.93 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.47 179.283 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -130.2 69.52 81.94 Favored Pre-proline 0 C--O 1.232 0.14 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.609 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 38.4 Cg_endo -66.76 145.19 74.4 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.429 2.086 . . . . 0.0 111.802 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . 0.407 ' H ' HG23 ' O' ' 2' ' ' THR . 13.3 m-85 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.088 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.652 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.686 0.279 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.38 37.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.285 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.438 HG22 ' N ' ' H' ' 4' ' ' ALA . 34.3 mt -137.66 136.32 45.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.189 0.519 . . . . 0.0 111.48 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . 0.438 ' N ' HG22 ' H' ' 3' ' ' ILE . . . -140.11 125.48 18.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.531 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.616 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.84 138.57 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.83 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.67 103.25 6.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.674 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.64 120.94 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.572 179.312 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -130.1 69.55 81.88 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.512 ' HB2' HG22 ' O' ' 2' ' ' THR . 41.9 Cg_endo -66.58 143.41 68.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.34 2.026 . . . . 0.0 111.745 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.08 135.92 49.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.578 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.546 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.836 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.461 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.68 0.276 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.7 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.405 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . 0.422 HG22 ' N ' ' I' ' 4' ' ' ALA . 39.1 mt -137.38 136.62 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 111.724 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . 0.422 ' N ' HG22 ' I' ' 3' ' ' ILE . . . -140.43 121.7 14.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.582 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.61 139.23 38.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.081 0.467 . . . . 0.0 111.61 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 104.01 6.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.101 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.71 120.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 0.0 110.442 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.68 69.27 81.42 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.643 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.6 Cg_endo -66.82 145.25 74.24 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.475 2.116 . . . . 0.0 112.135 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 17.7 m-85 -130.43 141.64 50.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.685 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.781 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.461 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.492 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.62 37.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.362 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . 0.433 HG22 ' N ' ' J' ' 4' ' ' ALA . 39.5 mt -137.75 137.1 45.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.462 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.433 ' N ' HG22 ' J' ' 3' ' ' ILE . . . -140.54 123.99 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.349 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.48 139.36 35.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.378 . . . . 0.0 111.401 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.881 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.75 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.21 121.05 43.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.433 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 49.4 m -130.23 69.45 81.95 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.657 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 38.0 Cg_endo -67.2 145.37 72.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.565 2.177 . . . . 0.0 112.189 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 16.2 m-85 -131.38 141.94 49.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.444 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.485 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.383 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . 0.425 HG22 ' N ' ' K' ' 4' ' ' ALA . 39.6 mt -138.14 137.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.46 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . 0.425 ' N ' HG22 ' K' ' 3' ' ' ILE . . . -140.67 122.96 15.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.399 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.72 139.44 36.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.357 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.881 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.88 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.755 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.95 43.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.609 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 46.1 m -129.55 69.08 81.21 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 120.686 0.279 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.657 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 37.3 Cg_endo -66.85 145.42 74.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.528 2.152 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.571 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 16.2 m-85 -131.67 141.31 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.681 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.418 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.715 0.293 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.458 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.48 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.367 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.44 HG22 ' N ' ' L' ' 4' ' ' ALA . 39.6 mt -138.07 137.17 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . 0.44 ' N ' HG22 ' L' ' 3' ' ' ILE . . . -140.69 123.73 16.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.339 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.65 139.33 34.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.858 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.66 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.066 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.755 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.46 120.87 43.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.565 0.221 . . . . 0.0 110.527 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.84 69.4 81.61 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.666 0.27 . . . . 0.0 110.804 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.64 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.8 Cg_endo -67.09 145.36 72.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.243 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 15.4 m-85 -131.52 141.16 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.423 ' H1 ' ' HD1' ' N' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.659 0.266 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.462 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.73 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.41 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . 0.444 HG22 ' N ' ' M' ' 4' ' ' ALA . 40.8 mt -139.12 136.98 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.087 0.47 . . . . 0.0 111.47 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.444 ' N ' HG22 ' M' ' 3' ' ' ILE . . . -140.72 124.0 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.14 139.46 35.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.395 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.06 6.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.97 120.83 42.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 43.9 m -129.76 68.72 81.01 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.967 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.4 Cg_endo -66.51 145.69 77.47 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.564 2.176 . . . . 0.0 112.148 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.51 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 15.8 m-85 -132.44 140.76 48.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.423 ' HD1' ' H1 ' ' M' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.442 HG23 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.65 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.565 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . 0.448 HG22 ' N ' ' N' ' 4' ' ' ALA . 43.5 mt -139.88 136.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.448 ' N ' HG22 ' N' ' 3' ' ' ILE . . . -140.84 123.74 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.213 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.47 36.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.848 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.92 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 120.71 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.581 0.229 . . . . 0.0 110.513 179.391 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 46.9 m -129.96 68.68 81.16 Favored Pre-proline 0 CA--C 1.529 0.164 0 CA-C-O 120.727 0.298 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.3 Cg_endo -66.37 145.85 78.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.494 2.129 . . . . 0.0 112.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.461 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 15.3 m-85 -132.43 140.57 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.616 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.434 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.512 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.94 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.656 -179.387 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . 0.452 HG22 ' N ' ' O' ' 4' ' ' ALA . 44.2 mt -140.29 136.79 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.131 0.491 . . . . 0.0 111.6 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.452 ' N ' HG22 ' O' ' 3' ' ' ILE . . . -140.78 123.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.295 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.81 139.29 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.467 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.809 ' HB3' HD13 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.56 7.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.705 HD11 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.38 39.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.648 0.261 . . . . 0.0 110.475 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -129.31 68.95 80.88 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.603 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 37.0 Cg_endo -66.49 145.59 77.27 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.536 2.157 . . . . 0.0 112.288 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -132.73 140.95 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.69 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.661 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.434 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.78 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.476 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . 0.457 HG22 ' N ' ' P' ' 4' ' ' ALA . 40.1 mt -138.96 137.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.401 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.457 ' N ' HG22 ' P' ' 3' ' ' ILE . . . -140.39 123.59 16.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.33 36.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.607 0.242 . . . . 0.0 111.65 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.693 ' HB3' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.52 107.56 8.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.686 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.38 120.95 41.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.617 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 37.7 m -130.24 71.12 82.36 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -68.15 144.92 64.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.566 2.178 . . . . 0.0 112.225 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -133.27 140.06 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.661 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.721 0.296 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -137.42 137.02 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.019 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.16 126.41 21.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.162 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.599 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.61 139.44 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.35 6.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.817 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -110.93 120.98 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.48 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.46 69.67 81.43 Favored Pre-proline 0 N--CA 1.456 -0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.697 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 48.5 Cg_endo -68.8 142.47 52.46 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.499 2.133 . . . . 0.0 112.173 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' N ' HG22 ' I' ' 2' ' ' THR . 16.0 m-85 -131.35 142.62 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.479 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.582 0.229 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.59 140.38 38.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.443 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 mt -137.05 137.08 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 125.67 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.188 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.73 33.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 111.828 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.816 HD12 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.06 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.871 179.712 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.739 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.93 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.182 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -129.23 69.28 81.04 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.4 Cg_endo -67.31 145.19 71.07 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.076 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.431 ' H ' HG22 ' J' ' 2' ' ' THR . 15.0 m-85 -133.58 140.02 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.562 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.536 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.733 0.302 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' THR . . . . . 0.418 ' HB ' HG23 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.18 140.27 37.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.836 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.91 137.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.108 0.48 . . . . 0.0 111.186 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 125.84 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.204 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.4 139.56 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.868 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.17 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.835 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.78 120.93 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.16 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.57 68.6 80.63 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.617 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -66.74 145.12 74.27 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.499 2.132 . . . . 0.0 111.957 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.409 ' H ' HG22 ' K' ' 2' ' ' THR . 14.2 m-85 -133.16 139.51 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.562 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' THR . . . . . 0.48 ' HB ' HG23 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.36 140.31 37.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.394 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -137.08 137.01 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.98 125.69 19.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.561 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.22 139.58 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 111.878 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 102.97 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.817 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.5 121.03 43.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.364 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.91 68.82 81.28 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.559 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 39.7 Cg_endo -67.27 145.18 71.24 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.12 . . . . 0.0 111.902 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.402 ' H ' HG22 ' L' ' 2' ' ' THR . 14.0 m-85 -132.74 138.64 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.02 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.559 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.2 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' THR . . . . . 0.48 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.07 140.37 38.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 125.88 19.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.211 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.535 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.27 139.64 33.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 111.808 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.792 ' HB3' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.25 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.752 179.629 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 121.03 43.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.42 179.185 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.97 68.51 80.94 Favored Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.64 144.95 74.32 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.479 2.119 . . . . 0.0 111.8 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -132.52 139.19 47.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.967 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.589 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.662 0.268 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 2' ' ' THR . . . . . 0.464 ' HB ' HG23 ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.13 140.21 37.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' N' ' 10' ' ' TYR . 30.6 mt -136.88 137.2 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.022 0.439 . . . . 0.0 111.233 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 125.84 19.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.62 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.833 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.1 6.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.771 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.738 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -112.91 120.76 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.367 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -129.92 68.31 80.62 Favored Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.3 Cg_endo -67.1 145.11 72.11 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.376 2.05 . . . . 0.0 111.859 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -131.93 138.82 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.07 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.589 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.456 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' THR . . . . . 0.464 HG23 ' HB ' ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.06 140.21 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.879 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.409 HD11 ' CE1' ' O' ' 10' ' ' TYR . 31.9 mt -137.07 137.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.06 125.65 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.223 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.3 139.48 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.944 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.811 ' HB3' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.01 103.03 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.722 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.87 42.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.416 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.1 68.42 80.97 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.9 Cg_endo -67.19 145.01 71.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.414 2.076 . . . . 0.0 111.771 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -131.56 139.03 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.201 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.427 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 2' ' ' THR . . . . . 0.412 HG23 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.18 140.26 37.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.848 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.56 136.59 48.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.155 0.502 . . . . 0.0 111.363 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 123.95 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.536 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.54 ' HB1' ' HG ' ' P' ' 6' ' ' LEU . . . -140.13 138.91 35.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.167 0.508 . . . . 0.0 111.612 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.811 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.21 6.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.69 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.16 120.91 42.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.606 0.241 . . . . 0.0 110.528 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -130.07 67.45 79.7 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.474 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 41.1 Cg_endo -66.19 143.02 69.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.295 1.996 . . . . 0.0 111.629 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -129.26 137.04 50.84 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 111.668 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.495 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.838 0.352 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.07 140.78 38.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.354 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.06 136.27 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.715 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.29 121.58 14.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.602 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.71 139.36 38.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 103.89 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.045 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.84 43.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.69 67.94 79.88 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 40.5 Cg_endo -67.29 145.37 71.81 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.56 2.173 . . . . 0.0 112.117 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.479 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 15.2 m-85 -131.25 142.8 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.664 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.829 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.495 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.777 0.322 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.478 HG23 ' HB ' ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.11 140.64 38.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.362 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.34 136.95 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.455 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.09 16.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.38 35.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.313 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.61 103.79 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.94 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.741 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.29 120.96 43.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.371 179.385 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.96 68.41 80.81 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.273 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 42.2 Cg_endo -68.19 145.16 65.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.532 2.155 . . . . 0.0 112.117 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.536 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 14.9 m-85 -131.03 143.81 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.697 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.811 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.476 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.717 0.294 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.498 HG23 ' HB ' ' L' ' 2' ' ' THR . 0.2 OUTLIER -139.26 140.75 37.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -138.01 136.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.391 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 123.4 16.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.34 139.64 35.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.939 0.4 . . . . 0.0 111.308 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.839 ' HB3' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.63 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.963 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.03 120.72 43.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.635 0.255 . . . . 0.0 110.348 179.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -130.23 68.37 81.04 Favored Pre-proline 0 C--O 1.231 0.117 0 CA-C-O 120.75 0.309 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 42.1 Cg_endo -68.02 145.24 66.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.524 2.15 . . . . 0.0 112.15 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 15.8 m-85 -131.34 143.14 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.697 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.45 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.769 0.319 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.52 HG23 ' HB ' ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.39 140.56 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.01 136.95 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.45 123.71 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.346 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 139.47 35.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 0.0 111.363 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.838 HD12 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.97 103.72 6.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.72 120.67 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.607 0.242 . . . . 0.0 110.48 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.84 68.04 80.18 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.726 0.298 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.57 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 39.4 Cg_endo -67.41 145.21 70.51 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.492 2.128 . . . . 0.0 112.142 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 16.1 m-85 -131.54 143.0 50.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.614 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.45 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.52 ' HB ' HG23 ' L' ' 2' ' ' THR . 0.2 OUTLIER -139.55 140.7 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.508 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mt -138.58 136.94 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.086 0.469 . . . . 0.0 111.457 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 123.73 16.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.136 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.97 139.51 34.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.474 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.838 ' HB3' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 103.65 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.023 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.732 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.38 120.86 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -130.51 68.25 81.21 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.694 0.283 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 41.2 Cg_endo -67.72 145.38 69.21 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.601 2.201 . . . . 0.0 112.179 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 16.0 m-85 -131.7 142.06 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.614 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.446 ' H1 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.72 0.295 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.482 ' HB ' HG23 ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.49 140.75 37.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.559 -179.503 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 36.1 mt -138.85 136.96 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 111.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 122.55 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.322 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.4 139.5 37.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.878 0.371 . . . . 0.0 111.449 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.818 HD12 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.81 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.74 120.63 42.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.1 67.81 80.19 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.603 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 39.0 Cg_endo -67.36 145.62 72.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.65 2.233 . . . . 0.0 112.214 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.456 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 15.7 m-85 -132.64 142.1 48.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.453 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.84 37.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.558 -179.312 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -139.74 136.63 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.153 0.502 . . . . 0.0 111.617 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 123.65 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.267 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.54 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 0.0 111.391 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.818 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.71 103.88 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.7 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.96 120.63 42.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.633 0.254 . . . . 0.0 110.406 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.88 68.12 80.34 Favored Pre-proline 0 CA--C 1.528 0.12 0 CA-C-O 120.763 0.316 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 40.0 Cg_endo -67.78 145.38 68.79 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.0 m-85 -132.67 141.97 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.672 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.679 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.453 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.57 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.405 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 33.8 mt -137.65 137.53 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 123.08 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.41 139.41 35.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.626 0.251 . . . . 0.0 111.669 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 106.49 8.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.17 120.85 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.49 69.42 82.16 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.2 Cg_endo -68.83 145.17 61.67 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.542 2.161 . . . . 0.0 112.264 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -132.95 142.99 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.3 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.428 ' HB ' HG22 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.18 139.93 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.288 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.55 137.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 126.22 20.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.213 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.4 139.31 33.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.758 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.13 103.96 6.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.87 43.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.382 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 69.46 80.41 Favored Pre-proline 0 N--CA 1.456 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.633 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -66.91 143.61 67.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.521 2.147 . . . . 0.0 112.0 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' N ' HG21 ' I' ' 2' ' ' THR . 13.8 m-85 -131.95 142.11 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 4.4 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.048 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H1 ' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.768 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.05 140.13 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.351 -179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.419 HD13 HG21 ' B' ' 3' ' ' ILE . 16.7 mt -136.04 137.28 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.22 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.59 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.31 6.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.757 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.741 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.77 42.5 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.35 179.121 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.95 68.54 79.75 Favored Pre-proline 0 N--CA 1.456 -0.155 0 CA-C-O 120.748 0.308 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.633 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.67 145.39 81.41 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.452 ' H ' HG21 ' J' ' 2' ' ' THR . 12.7 m-85 -132.99 139.26 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.515 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.702 0.286 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' THR . . . . . 0.45 ' HB ' HG22 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.25 140.19 37.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.384 -179.742 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.44 137.16 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 111.163 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 126.54 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.46 33.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.845 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 103.29 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.761 179.643 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.84 120.62 41.36 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.334 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.02 68.75 80.29 Favored Pre-proline 0 C--N 1.333 -0.122 0 CA-C-O 120.725 0.297 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 35.8 Cg_endo -65.47 145.43 82.6 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.474 2.116 . . . . 0.0 112.0 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.462 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.84 138.41 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.779 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.52 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.533 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.59 0.234 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' THR . . . . . 0.469 ' HB ' HG22 ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.3 140.15 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.273 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 27.7 mt -136.51 137.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 126.39 19.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.549 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.53 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.8 ' HB3' HD11 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.22 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.769 ' HB3' HD11 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.37 120.91 42.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.045 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.52 68.66 80.68 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.683 0.278 . . . . 0.0 110.919 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.626 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.45 145.3 82.45 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.149 . . . . 0.0 111.915 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.432 ' H ' HG21 ' L' ' 2' ' ' THR . 12.6 m-85 -132.54 137.44 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.538 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.733 0.301 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' THR . . . . . 0.483 ' HB ' HG22 ' F' ' 2' ' ' THR . 0.2 OUTLIER -139.22 140.14 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.239 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.415 HD11 ' HE1' ' M' ' 10' ' ' TYR . 28.3 mt -136.41 136.97 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.008 0.433 . . . . 0.0 111.235 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.29 19.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.25 139.35 33.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.885 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.805 ' HB3' HD11 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.21 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.95 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.91 42.62 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.415 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.34 68.16 79.77 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.983 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.626 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.4 Cg_endo -64.94 145.03 84.75 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.404 2.069 . . . . 0.0 111.867 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -131.72 137.96 48.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.538 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.491 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.665 0.269 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 2' ' ' THR . . . . . 0.483 HG22 ' HB ' ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.18 140.14 37.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.226 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.45 HD11 ' HE1' ' N' ' 10' ' ' TYR . 28.2 mt -136.6 137.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 111.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.3 19.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.552 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.43 33.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.803 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.831 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 103.11 6.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.54 121.02 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.65 0.262 . . . . 0.0 110.385 179.186 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 68.12 80.0 Favored Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.1 144.56 82.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.403 2.068 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -130.99 137.46 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.042 -179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 2.8 t . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.455 ' H1 ' ' HD1' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.814 0.34 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' THR . . . . . 0.471 ' HB ' HG22 ' H' ' 2' ' ' THR . 0.2 OUTLIER -139.2 140.27 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.449 HD11 ' HE1' ' O' ' 10' ' ' TYR . 30.3 mt -136.75 137.03 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 126.26 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.569 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.41 139.3 33.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 111.797 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.831 HD11 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 102.93 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.777 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.4 120.92 42.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.654 0.264 . . . . 0.0 110.411 179.092 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.81 68.05 80.15 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.0 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.583 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.3 Cg_endo -65.42 144.84 81.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.412 2.075 . . . . 0.0 111.766 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -130.74 137.25 49.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.201 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 2.1 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.453 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.715 0.293 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 2' ' ' THR . . . . . 0.471 HG22 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.12 140.18 37.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -135.85 136.36 50.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 111.387 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 124.24 17.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.607 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.493 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.19 138.43 35.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.045 0.45 . . . . 0.0 111.612 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.819 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 103.18 6.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.642 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.768 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.04 120.92 41.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.376 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.51 68.37 80.26 Favored Pre-proline 0 C--O 1.233 0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.56 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 39.4 Cg_endo -65.75 142.29 69.42 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.45 2.1 . . . . 0.0 111.684 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -127.65 136.89 52.23 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.787 0.327 . . . . 0.0 111.577 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 1.5 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.788 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.453 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.699 0.285 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.471 HG22 ' HB ' ' J' ' 2' ' ' THR . 0.2 OUTLIER -139.22 140.65 37.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.442 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -136.21 136.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.199 0.523 . . . . 0.0 111.752 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.46 122.01 15.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.679 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.47 139.02 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.471 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.851 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.04 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.07 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.61 120.69 41.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.635 0.255 . . . . 0.0 110.329 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.5 68.0 77.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.598 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.9 Cg_endo -66.21 145.32 78.02 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.479 2.119 . . . . 0.0 111.956 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.435 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.8 m-85 -131.09 141.52 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.583 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 1.6 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.453 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.849 0.357 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.493 HG22 ' HB ' ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.24 140.54 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.387 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -136.61 137.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.47 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' B' ' 9' ' ' PRO . . . -140.61 123.48 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.398 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.34 36.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.283 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.862 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 103.75 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.047 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.98 120.79 43.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.457 179.301 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 68.09 78.72 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-O 120.666 0.27 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.616 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.7 Cg_endo -66.89 144.6 71.35 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.515 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.8 m-85 -130.16 142.57 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.583 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.437 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.493 ' HB ' HG22 ' J' ' 2' ' ' THR . 0.2 OUTLIER -139.37 140.55 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.414 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 37.6 mt -137.19 136.91 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.469 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 123.57 16.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.323 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.86 139.37 36.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.25 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.862 ' HB3' HD11 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.81 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.757 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.03 120.65 42.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 179.365 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.2 68.18 79.64 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.658 0.266 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.616 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 38.0 Cg_endo -66.63 145.37 75.71 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.396 2.064 . . . . 0.0 112.239 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.533 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 13.4 m-85 -131.19 141.66 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.456 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.75 0.309 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.534 HG22 ' HB ' ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.29 140.67 37.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.383 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -137.2 137.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.71 123.26 16.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.35 36.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 111.25 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 104.27 6.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.65 120.73 42.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.416 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.5 67.99 79.71 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.733 0.302 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.617 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 38.0 Cg_endo -66.64 145.31 75.51 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.481 2.121 . . . . 0.0 112.091 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 13.0 m-85 -130.91 142.39 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.619 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 2.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.456 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.539 HG22 ' HB ' ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.46 140.67 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.435 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 mt -137.7 137.16 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.039 0.447 . . . . 0.0 111.467 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.47 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.351 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.93 139.24 36.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 111.42 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.835 ' HB3' HD11 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.97 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.762 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.37 120.69 42.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.393 179.318 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.6 68.46 80.48 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.662 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 37.7 Cg_endo -67.02 145.19 72.81 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.408 2.072 . . . . 0.0 112.196 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.491 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.2 m-85 -130.96 141.38 50.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.454 ' HD1' ' H1 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.539 ' HB ' HG22 ' M' ' 2' ' ' THR . 0.2 OUTLIER -139.41 140.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.496 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.1 137.02 44.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.103 0.478 . . . . 0.0 111.462 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.79 122.6 15.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.84 139.41 38.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.375 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.815 ' HB3' HD11 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.01 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.04 120.64 42.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.422 179.319 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 67.68 79.32 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.707 0.289 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.662 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.66 145.61 82.0 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.542 2.161 . . . . 0.0 112.188 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.45 ' HE1' HD11 ' F' ' 3' ' ' ILE . 13.3 m-85 -131.66 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.51 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.821 0.343 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.54 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.583 -179.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . 0.406 ' HB ' HG12 ' P' ' 3' ' ' ILE . 41.2 mt -138.12 137.05 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 111.504 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.93 122.89 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.311 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 139.39 37.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.85 7.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.51 40.38 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.311 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.31 67.8 79.21 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.566 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 36.8 Cg_endo -65.96 145.75 80.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.081 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.449 ' HE1' HD11 ' G' ' 3' ' ' ILE . 13.7 m-85 -132.37 141.15 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.51 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.61 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.34 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . 0.406 HG12 ' HB ' ' O' ' 3' ' ' ILE . 36.3 mt -137.66 137.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.368 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.24 123.17 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.38 36.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.525 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 109.12 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 179.649 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.685 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.54 120.62 39.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.412 179.471 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 69.85 81.74 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.857 0.36 . . . . 0.0 111.016 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.3 Cg_endo -67.41 145.18 70.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.583 2.188 . . . . 0.0 112.078 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -132.9 140.42 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.609 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 4.2 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.35 37.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.15 137.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.85 128.08 22.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.724 ' HB3' ' HG ' ' I' ' 6' ' ' LEU . . . -141.18 139.41 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.6 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 179.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.449 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -128.81 69.41 80.17 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.618 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.9 Cg_endo -66.95 143.2 65.24 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.055 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' N ' HG23 ' I' ' 2' ' ' THR . 13.6 m-85 -132.29 142.64 49.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.698 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.525 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.41 37.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.356 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.416 HD11 HG22 ' B' ' 3' ' ' ILE . 19.5 mt -137.59 137.2 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 128.04 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.716 ' HB3' ' HG ' ' J' ' 6' ' ' LEU . . . -141.34 139.23 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.825 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.72 103.0 5.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.86 179.442 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.14 120.71 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.163 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -128.9 68.61 79.66 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.642 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.9 Cg_endo -65.18 145.42 84.27 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.346 2.03 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.541 ' N ' HG23 ' J' ' 2' ' ' THR . 12.4 m-85 -133.53 139.18 46.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.54 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.11 37.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.501 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.426 HG22 HD11 ' C' ' 3' ' ' ILE . 21.5 mt -137.48 137.14 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.67 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.686 ' HB3' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.894 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.822 ' HB3' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.09 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.765 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.796 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.15 120.72 42.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.012 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.23 68.78 80.55 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.681 0.277 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.642 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.2 Cg_endo -65.86 145.45 80.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.413 2.075 . . . . 0.0 112.083 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.481 ' H ' HG23 ' K' ' 2' ' ' THR . 12.4 m-85 -132.89 138.73 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.35 37.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.325 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.426 HD11 HG22 ' D' ' 3' ' ' ILE . 23.0 mt -137.7 137.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.05 127.76 21.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.678 ' HB3' ' HG ' ' L' ' 6' ' ' LEU . . . -141.25 139.26 33.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.811 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.844 ' HB3' HD12 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.01 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.895 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.87 42.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.26 68.56 80.26 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 33.8 Cg_endo -65.21 145.21 83.6 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.41 2.073 . . . . 0.0 111.976 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.433 ' H ' HG23 ' L' ' 2' ' ' THR . 12.2 m-85 -132.6 138.78 47.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.517 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.23 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.441 HD12 ' HE1' ' M' ' 10' ' ' TYR . 26.9 mt -137.52 137.17 45.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 127.81 21.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.291 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.73 ' HB3' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 111.834 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.844 HD12 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.6 103.02 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 121.26 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.79 68.41 80.62 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.8 Cg_endo -65.16 145.26 84.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.391 2.061 . . . . 0.0 111.865 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.467 ' H ' HG23 ' M' ' 2' ' ' THR . 11.7 m-85 -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.95 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.498 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.34 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.307 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.433 HD12 ' HE1' ' N' ' 10' ' ' TYR . 27.6 mt -137.5 137.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.17 127.6 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.356 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.72 ' HB3' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.39 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.844 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.836 HD12 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.48 103.16 6.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.857 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.39 121.21 43.66 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.451 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -129.85 67.92 80.03 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.741 0.305 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.32 144.76 81.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.408 2.072 . . . . 0.0 111.771 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -131.57 139.07 49.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.488 ' HD1' ' H1 ' ' H' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.661 0.267 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.23 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.338 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.436 HD12 ' HE1' ' O' ' 10' ' ' TYR . 29.5 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.247 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 127.53 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.282 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.728 ' HB3' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.4 33.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.4 . . . . 0.0 111.729 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.843 ' HB3' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.29 102.99 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.864 179.557 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.32 120.84 42.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.43 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.9 68.27 80.55 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.8 Cg_endo -66.12 144.49 75.67 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.393 2.062 . . . . 0.0 111.51 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -130.42 139.05 50.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.193 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.888 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.488 ' H1 ' ' HD1' ' G' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.757 0.313 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.47 37.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.337 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' P' ' 8' ' ' SER . 33.9 mt -137.67 136.63 45.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.25 0.548 . . . . 0.0 111.43 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 126.93 20.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.788 ' HB3' ' HG ' ' P' ' 6' ' ' LEU . . . -140.93 138.53 33.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.626 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.83 103.37 6.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.76 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.28 121.14 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.533 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.95 67.71 79.88 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' O' ' 2' ' ' THR . 37.9 Cg_endo -65.18 143.12 76.6 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.339 2.026 . . . . 0.0 111.56 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -128.83 136.98 51.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.36 . . . . 0.0 111.576 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.815 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.46 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 18.3 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.736 0.303 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.75 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.49 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.02 136.71 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.089 0.471 . . . . 0.0 111.635 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.86 16.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.626 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.8 138.99 38.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.539 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.875 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 104.91 7.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.144 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.723 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.06 120.79 41.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.52 0.2 . . . . 0.0 110.493 179.314 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -129.0 68.48 79.87 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.618 0.246 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.562 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.27 145.17 77.25 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.048 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 12.7 m-85 -130.86 142.91 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.469 ' H1 ' ' HD1' ' K' ' 1' ' ' TYR . 17.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.541 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.66 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.358 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -137.7 137.12 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 125.09 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.275 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.41 36.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.926 0.393 . . . . 0.0 111.265 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.897 HD12 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.92 103.89 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.765 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.78 120.92 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.44 179.299 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.51 68.09 79.86 Favored Pre-proline 0 C--O 1.232 0.155 0 CA-C-O 120.704 0.288 . . . . 0.0 111.021 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.562 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 38.8 Cg_endo -67.12 145.24 72.37 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.48 2.12 . . . . 0.0 112.173 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.54 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 12.8 m-85 -131.22 144.02 51.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.024 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.415 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.469 ' HD1' ' H1 ' ' J' ' 1' ' ' TYR . 18.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.789 0.328 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.481 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.56 37.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . 0.405 HG22 HD11 ' K' ' 3' ' ' ILE . 32.6 mt -138.02 136.87 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.332 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.38 125.92 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.92 139.19 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.335 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.9 HD12 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.87 6.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.081 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.92 43.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.455 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.6 68.43 80.43 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.62 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 38.1 Cg_endo -67.19 145.35 72.35 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.496 2.131 . . . . 0.0 112.048 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.7 m-85 -131.47 142.76 50.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.462 ' H1 ' ' HD1' ' M' ' 1' ' ' TYR . 18.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.433 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.76 37.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.421 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.408 HG22 HD11 ' L' ' 3' ' ' ILE . 33.9 mt -138.55 136.9 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.58 124.94 17.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.283 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.34 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.9 ' HB3' HD12 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.97 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.951 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.26 120.75 42.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.612 0.244 . . . . 0.0 110.51 179.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -129.34 67.89 79.4 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-O 120.647 0.261 . . . . 0.0 110.98 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.62 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.6 Cg_endo -66.55 145.55 76.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.179 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.517 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.2 m-85 -131.81 142.64 49.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.462 ' HD1' ' H1 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.467 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.52 140.76 37.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -139.15 136.89 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.086 0.469 . . . . 0.0 111.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 125.14 17.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.241 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.25 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.356 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.88 ' HB3' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.25 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.8 42.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.91 67.88 80.05 Favored Pre-proline 0 CA--C 1.528 0.113 0 CA-C-O 120.765 0.317 . . . . 0.0 110.967 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.656 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.6 Cg_endo -66.02 145.62 80.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.546 2.164 . . . . 0.0 112.14 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 12.4 m-85 -131.5 142.86 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.44 ' H1 ' ' HD1' ' O' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.51 140.78 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.603 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.87 136.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.499 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.76 124.66 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 139.74 36.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.496 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.843 ' HB3' HD12 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.91 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.129 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.62 120.76 42.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.329 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -129.87 68.12 80.32 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-O 120.679 0.276 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.656 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -66.22 145.86 79.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.612 2.208 . . . . 0.0 112.202 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.482 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 12.7 m-85 -132.4 142.02 49.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.49 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.76 0.314 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.509 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.38 140.94 37.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.539 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.1 136.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 111.538 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 125.18 17.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.363 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.4 36.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.393 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.826 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 105.12 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.056 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.758 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.87 120.77 41.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.436 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.57 67.74 79.44 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 145.57 81.19 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.508 2.139 . . . . 0.0 112.174 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.436 ' HE1' HD12 ' G' ' 3' ' ' ILE . 12.6 m-85 -132.57 142.51 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.49 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.61 37.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.17 137.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.32 124.12 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.24 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.37 139.37 37.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.657 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.788 ' HG ' ' HB3' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.47 107.78 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.59 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.21 120.99 41.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.485 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.416 ' HB2' HD11 ' H' ' 3' ' ' ILE . 4.9 m -130.61 70.25 82.4 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.052 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.594 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 43.1 Cg_endo -68.07 145.05 65.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.581 2.187 . . . . 0.0 112.144 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -132.81 142.26 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.1 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.401 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mt -138.35 137.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.014 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.84 126.61 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.15 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.62 ' HB2' ' HG ' ' I' ' 6' ' ' LEU . . . -141.43 139.48 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.712 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.85 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.847 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.29 120.88 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.543 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -129.13 69.24 80.92 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-O 120.828 0.347 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.637 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 40.0 Cg_endo -67.44 142.31 59.11 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.512 2.142 . . . . 0.0 112.155 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' N ' HG22 ' I' ' 2' ' ' THR . 13.3 m-85 -132.46 142.08 49.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.406 ' HB2' ' HG1' ' I' ' 2' ' ' THR . 1.3 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.646 0.26 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.29 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.541 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.467 HD12 ' OH ' ' I' ' 10' ' ' TYR . 21.7 mt -138.16 136.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.82 126.54 20.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.37 139.42 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 0.0 111.863 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.36 103.14 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.804 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.875 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.6 41.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.45 179.203 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -129.42 68.78 80.74 Favored Pre-proline 0 C--O 1.232 0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.637 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.2 Cg_endo -66.3 145.23 77.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.535 2.157 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.457 ' N ' HG22 ' J' ' 2' ' ' THR . 12.9 m-85 -134.26 138.87 45.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.748 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.461 ' HB2' ' HG1' ' J' ' 2' ' ' THR . 1.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.556 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.755 0.312 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.358 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.46 HD12 ' OH ' ' J' ' 10' ' ' TYR . 25.8 mt -137.87 137.15 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.64 20.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.301 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.587 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.51 139.57 33.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.961 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.38 102.97 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.797 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.892 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.18 121.03 43.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 179.058 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -129.8 68.61 80.9 Favored Pre-proline 0 C--O 1.231 0.123 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.645 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.87 145.26 79.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.15 . . . . 0.0 112.06 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.408 ' N ' HG22 ' K' ' 2' ' ' THR . 12.5 m-85 -134.3 138.86 45.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.43 ' HB2' ' HG1' ' K' ' 2' ' ' THR . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.555 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.776 0.322 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.15 37.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.467 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.422 HD13 HG21 ' D' ' 3' ' ' ILE . 28.8 mt -138.29 136.54 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.49 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.234 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . . . -141.44 139.51 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.951 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 103.12 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.815 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.892 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.25 120.94 42.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.447 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -129.5 68.35 80.23 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.645 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 144.73 78.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.382 2.054 . . . . 0.0 111.868 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -133.32 138.78 46.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.551 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.12 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.305 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.417 HD12 ' OH ' ' L' ' 10' ' ' TYR . 31.3 mt -138.32 136.72 44.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 126.67 20.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.232 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.62 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.5 139.42 33.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.92 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.772 ' HB3' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.79 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.836 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.854 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.83 42.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.66 0.267 . . . . 0.0 110.488 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.56 68.37 80.32 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.7 Cg_endo -65.99 144.58 76.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.342 2.028 . . . . 0.0 111.951 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -132.9 138.92 47.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.986 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.944 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.81 140.23 38.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.419 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.408 HD13 HG21 ' F' ' 3' ' ' ILE . 31.8 mt -138.62 136.62 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.479 . . . . 0.0 111.238 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.68 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.19 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 0.0 111.816 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.14 103.02 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.724 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.99 42.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.651 0.262 . . . . 0.0 110.399 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.07 67.79 80.14 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.971 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.552 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.9 Cg_endo -65.55 144.85 80.53 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.385 2.056 . . . . 0.0 111.766 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.67 138.91 47.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.938 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 18.5 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.37 37.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.363 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.402 HD12 ' OH ' ' N' ' 10' ' ' TYR . 32.2 mt -138.48 136.78 43.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.247 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.59 20.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.35 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.634 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.29 139.5 33.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 111.884 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.773 ' HB3' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 102.99 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.784 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.804 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.84 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.397 179.18 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.32 67.87 80.53 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.497 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.2 Cg_endo -66.37 145.01 76.13 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.349 2.032 . . . . 0.0 111.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.21 138.57 48.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.242 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.51 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.29 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.432 HD12 ' OH ' ' O' ' 10' ' ' TYR . 35.2 mt -138.42 136.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.221 0.534 . . . . 0.0 111.336 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 125.11 18.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.506 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.667 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.31 138.79 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.145 0.498 . . . . 0.0 111.707 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.57 103.22 6.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.682 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.703 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.35 120.98 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.469 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.14 67.11 79.35 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.598 ' HB2' HG21 ' O' ' 2' ' ' THR . 37.8 Cg_endo -65.39 142.54 72.83 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.404 2.07 . . . . 0.0 111.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -129.18 138.79 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.812 0.339 . . . . 0.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.896 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.416 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.439 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.72 37.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.79 136.42 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.256 0.551 . . . . 0.0 111.618 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 122.03 15.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.635 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.04 139.01 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.0 111.547 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.75 6.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.788 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.86 42.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.646 0.26 . . . . 0.0 110.381 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.0 67.88 80.15 Favored Pre-proline 0 CA--C 1.528 0.101 0 CA-C-O 120.718 0.294 . . . . 0.0 110.982 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.673 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.49 145.2 76.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.496 2.131 . . . . 0.0 112.164 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.5 m-85 -131.55 142.07 49.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.531 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.829 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.416 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.726 0.298 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.461 ' HG1' ' HB2' ' B' ' 11' ' ' SER . 0.2 OUTLIER -139.28 140.66 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.442 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.3 136.73 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.331 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.8 16.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.455 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.5 139.3 35.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.285 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.91 103.57 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -111.83 120.72 42.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.367 179.501 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.58 67.98 79.79 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.66 0.267 . . . . 0.0 110.787 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.673 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 37.3 Cg_endo -66.69 145.21 74.87 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.48 2.12 . . . . 0.0 112.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.556 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.0 m-85 -132.12 142.64 49.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.531 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.422 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.764 0.316 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.43 ' HG1' ' HB2' ' C' ' 11' ' ' SER . 0.2 OUTLIER -139.49 140.62 37.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.63 136.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.339 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 123.79 16.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.56 139.5 35.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.903 0.382 . . . . 0.0 111.358 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.76 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.89 43.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.47 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -129.96 67.36 79.44 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.617 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.7 Cg_endo -65.84 145.58 80.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.569 2.179 . . . . 0.0 112.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.6 m-85 -132.69 141.15 48.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.403 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.422 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.666 0.269 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.67 37.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.403 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -139.12 136.84 42.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.403 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 123.97 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.202 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.47 139.51 35.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 111.408 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.794 ' HB3' HD12 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 103.93 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.817 ' HB3' HD11 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.3 120.81 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.28 67.78 80.37 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-O 120.677 0.275 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.636 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 37.2 Cg_endo -66.29 145.63 78.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.551 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.9 m-85 -132.88 141.69 48.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.418 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.722 0.296 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.44 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.583 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -139.47 136.82 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 0.0 111.397 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.79 123.65 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.326 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 139.51 36.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.492 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.782 HD12 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.12 103.83 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.831 HD11 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.59 120.9 43.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 3.7 m -130.21 67.66 80.13 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.707 0.289 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.636 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.3 Cg_endo -66.08 145.71 79.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.493 2.129 . . . . 0.0 112.152 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.1 m-85 -133.14 141.14 47.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.418 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.723 0.296 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.492 HG21 ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.62 140.57 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.546 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.13 136.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.062 0.458 . . . . 0.0 111.406 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.88 123.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.282 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.31 139.42 35.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 0.0 111.499 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.782 ' HB3' HD12 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.23 104.08 6.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.84 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.71 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -130.22 67.44 79.86 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.676 0.274 . . . . 0.0 111.048 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 36.3 Cg_endo -65.76 145.56 81.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.519 2.146 . . . . 0.0 112.265 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 13.4 m-85 -133.4 140.76 47.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.798 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.417 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.008 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.483 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.762 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.598 HG21 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.88 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.714 -179.319 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -140.84 136.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.622 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.418 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.59 124.13 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 139.34 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.535 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.764 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.96 6.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.96 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.02 120.51 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.415 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -129.68 67.54 79.31 Favored Pre-proline 0 CA--C 1.528 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.64 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 35.7 Cg_endo -65.66 145.73 82.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.225 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 13.6 m-85 -134.12 141.27 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.471 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.483 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.779 0.323 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.7 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.381 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.91 137.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.246 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.4 16.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.57 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 111.695 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.667 ' HG ' ' HB2' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.47 107.07 8.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.814 179.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.397 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -130.56 69.93 82.31 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.581 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.5 Cg_endo -68.18 145.11 65.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.575 2.183 . . . . 0.0 112.253 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -134.27 141.16 46.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.471 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.79 140.13 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.44 HG23 HD13 ' A' ' 3' ' ' ILE . 16.8 mt -139.0 137.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.74 126.33 20.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.676 ' HB2' ' HG ' ' I' ' 6' ' ' LEU . . . -141.29 139.2 33.61 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.62 103.42 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.24 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.723 ' HB3' HD13 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.67 120.91 43.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 110.591 179.358 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -129.33 70.42 81.75 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.66 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 41.5 Cg_endo -68.0 143.71 61.22 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.516 2.144 . . . . 0.0 112.085 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.512 ' N ' HG22 ' I' ' 2' ' ' THR . 18.5 m-85 -131.74 140.67 49.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.519 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.428 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.688 0.28 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.98 140.27 38.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.448 HD13 HG23 ' B' ' 3' ' ' ILE . 19.4 mt -138.47 136.9 43.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.052 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.83 125.57 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' J' ' 6' ' ' LEU . . . -140.73 139.41 34.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 111.917 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.764 ' HB3' HD12 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.51 103.3 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.792 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD13 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.8 42.02 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.403 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.05 70.12 81.41 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.66 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.3 Cg_endo -66.86 145.46 74.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.44 2.093 . . . . 0.0 112.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.522 ' N ' HG22 ' J' ' 2' ' ' THR . 17.0 m-85 -132.96 140.11 47.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.579 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.494 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.692 0.282 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.3 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.459 HD13 HG23 ' C' ' 3' ' ' ILE . 20.0 mt -138.87 136.86 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.473 . . . . 0.0 111.152 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.58 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.287 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.621 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.36 139.22 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 111.817 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.774 ' HB3' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.752 179.585 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.745 ' HB3' HD13 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.67 120.75 41.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.454 179.167 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -128.99 69.9 81.2 Favored Pre-proline 0 C--N 1.333 -0.145 0 CA-C-O 120.737 0.303 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.61 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.89 145.16 73.48 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.424 2.083 . . . . 0.0 112.1 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.485 ' N ' HG22 ' K' ' 2' ' ' THR . 17.1 m-85 -132.29 139.19 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.518 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.14 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.46 HD13 HG23 ' D' ' 3' ' ' ILE . 20.6 mt -138.76 136.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 126.28 20.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.245 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.61 ' HB2' ' HG ' ' L' ' 6' ' ' LEU . . . -141.26 139.28 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.774 HD12 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.25 6.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.745 HD13 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -114.03 120.77 41.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.442 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -129.22 69.55 81.18 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.5 Cg_endo -66.4 145.28 76.79 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG22 ' L' ' 2' ' ' THR . 16.8 m-85 -132.53 137.12 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.917 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.557 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.52 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.649 0.261 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.19 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.404 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' M' ' 8' ' ' SER . 22.2 mt -138.65 136.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 126.07 19.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.231 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.594 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.33 139.41 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 111.891 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.812 ' HB3' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.46 103.02 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.851 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.758 ' HB3' HD13 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.6 120.87 42.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.607 0.241 . . . . 0.0 110.444 179.089 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 13.8 m -129.62 69.94 81.68 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.599 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 38.6 Cg_endo -67.14 145.1 71.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.43 2.086 . . . . 0.0 111.931 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.495 ' H ' HG22 ' M' ' 2' ' ' THR . 16.0 m-85 -131.59 137.31 48.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' SER . . . . . 0.567 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.506 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.767 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.28 37.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.378 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.459 HD13 HG23 ' F' ' 3' ' ' ILE . 24.6 mt -138.96 136.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 126.3 19.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.211 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.624 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.4 139.22 33.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.718 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.847 ' HB3' HD12 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.89 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.805 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD13 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 120.91 42.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.631 0.253 . . . . 0.0 110.487 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -129.81 69.78 81.74 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.599 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.4 Cg_endo -67.0 145.1 72.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.379 2.053 . . . . 0.0 111.913 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.474 ' H ' HG22 ' N' ' 2' ' ' THR . 15.2 m-85 -131.26 137.95 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 3.9 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.56 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.365 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.461 HD11 ' HE1' ' O' ' 10' ' ' TYR . 29.3 mt -138.91 136.87 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.13 19.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.266 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.686 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.36 139.15 33.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 111.863 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.56 102.9 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.796 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.762 HD13 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.82 121.02 42.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -129.99 69.57 81.8 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 41.8 Cg_endo -67.52 143.35 62.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.381 2.054 . . . . 0.0 111.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -128.79 138.48 52.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.625 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.32 38.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.461 HD13 HG23 ' H' ' 3' ' ' ILE . 29.0 mt -138.74 135.96 43.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.207 0.527 . . . . 0.0 111.464 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 124.76 18.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.611 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.663 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -140.41 138.21 34.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.635 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.823 HD12 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.07 6.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.691 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.5 121.06 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 0.0 110.431 179.259 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -129.76 69.29 81.5 Favored Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 42.2 Cg_endo -67.06 143.61 66.24 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.327 2.018 . . . . 0.0 111.748 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -128.6 137.28 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.605 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.826 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.401 ' H1 ' ' HD1' ' J' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.1 140.74 38.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.396 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . 0.406 HD13 HG23 ' I' ' 3' ' ' ILE . 31.3 mt -138.85 136.15 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.155 0.503 . . . . 0.0 111.593 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 121.25 14.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.632 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.0 139.05 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.036 0.446 . . . . 0.0 111.525 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.91 6.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.061 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.744 HD13 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.65 120.82 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.231 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -129.15 68.9 80.65 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 39.3 Cg_endo -67.26 145.02 70.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.561 2.174 . . . . 0.0 112.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.428 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.4 m-85 -129.99 142.34 50.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.135 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.663 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.401 ' HD1' ' H1 ' ' I' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.699 0.285 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.522 HG22 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.84 37.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.457 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . 0.401 HD13 HG23 ' J' ' 3' ' ' ILE . 31.5 mt -139.2 136.68 41.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.486 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . 0.426 ' HB3' ' HG3' ' B' ' 9' ' ' PRO . . . -140.59 123.41 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.44 179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.08 35.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 111.377 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.862 HD12 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.95 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.71 120.9 43.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.405 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -129.61 69.35 81.39 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 40.9 Cg_endo -67.96 145.34 67.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.481 2.121 . . . . 0.0 112.153 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.494 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 17.6 m-85 -130.58 143.0 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.663 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.805 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.485 HG22 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.38 140.68 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.423 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . 0.404 HD13 HG23 ' K' ' 3' ' ' ILE . 31.7 mt -139.44 136.73 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.52 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.275 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.29 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.344 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.862 ' HB3' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 103.53 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.97 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD13 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.05 120.69 42.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.39 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.426 ' HB3' HD11 ' C' ' 3' ' ' ILE . 8.4 m -129.91 69.38 81.66 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.622 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -68.17 145.33 66.24 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.525 2.15 . . . . 0.0 112.185 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.518 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 17.7 m-85 -130.41 142.73 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.648 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.711 0.291 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.522 HG22 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.46 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.422 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.403 HD13 HG23 ' L' ' 3' ' ' ILE . 31.7 mt -139.56 136.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.414 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.73 123.57 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.368 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.33 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 111.261 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.845 ' HB3' HD12 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.9 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.916 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.737 ' HB3' HD13 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.92 120.51 41.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.227 . . . . 0.0 110.5 179.377 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.436 ' HB3' HD11 ' D' ' 3' ' ' ILE . 11.9 m -129.13 68.87 80.59 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.708 0.29 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.63 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 39.0 Cg_endo -67.53 145.49 70.77 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.533 2.155 . . . . 0.0 112.224 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.52 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 17.8 m-85 -131.08 142.12 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.648 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.41 ' H1 ' ' HD1' ' N' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.495 HG22 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.457 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . 0.416 HG23 HD13 ' M' ' 3' ' ' ILE . 32.2 mt -139.84 136.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.357 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.365 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.54 139.24 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.403 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.83 ' HB3' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.93 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD13 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.84 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.449 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.47 ' HB3' HD11 ' E' ' 3' ' ' ILE . 12.4 m -129.6 68.58 80.64 Favored Pre-proline 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.63 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 38.0 Cg_endo -67.22 145.56 72.9 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.674 2.25 . . . . 0.0 112.211 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.506 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -131.32 142.29 50.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' M' M ' 11' ' ' SER . . . . . 0.634 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.41 ' HD1' ' H1 ' ' M' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.718 0.294 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.474 HG22 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.62 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.589 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . 0.414 HG23 HD13 ' N' ' 3' ' ' ILE . 32.6 mt -140.59 136.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.348 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.64 123.23 16.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.218 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.41 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.538 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 104.25 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.978 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.709 HD13 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.96 120.7 41.54 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.426 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.454 ' HB3' HD11 ' F' ' 3' ' ' ILE . 9.5 m -129.95 68.91 81.44 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.8 Cg_endo -66.98 145.82 75.26 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.664 2.242 . . . . 0.0 112.228 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 17.8 m-85 -131.78 141.12 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.628 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.435 ' H1 ' ' HD1' ' P' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.472 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.61 140.93 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . 0.428 HG23 HD13 ' O' ' 3' ' ' ILE . 32.3 mt -141.01 136.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.8 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.275 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 139.29 37.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.751 ' HB3' HD12 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.71 6.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD13 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.5 120.53 40.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.442 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.41 ' HB3' HD11 ' G' ' 3' ' ' ILE . 14.9 m -129.68 68.88 81.13 Favored Pre-proline 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.323 . . . . 0.0 111.002 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 37.6 Cg_endo -66.92 146.02 76.28 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.194 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.461 ' HE1' HD11 ' G' ' 3' ' ' ILE . 17.7 m-85 -132.29 141.59 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.607 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.435 ' HD1' ' H1 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.331 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.69 37.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -140.01 137.37 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.373 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.48 122.74 15.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.95 139.04 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.536 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.663 ' HG ' ' HB2' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.74 107.87 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.599 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD13 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.17 120.67 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.489 179.598 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.455 ' HB3' HD11 ' H' ' 3' ' ' ILE . 13.4 m -129.73 70.94 82.19 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.0 Cg_endo -69.0 145.24 60.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.562 2.175 . . . . 0.0 112.187 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . 0.436 ' HE1' HD11 ' H' ' 3' ' ' ILE . 18.8 m-85 -132.87 141.14 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.677 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.607 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.11 37.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.442 HD12 HG23 ' A' ' 3' ' ' ILE . 21.8 mt -138.39 137.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.17 128.37 23.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.708 ' HB3' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 138.89 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.7 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.889 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.631 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.61 120.95 43.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.629 0.252 . . . . 0.0 110.614 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -128.61 69.8 79.72 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.715 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.724 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.69 141.62 60.73 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.179 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.451 ' N ' HG22 ' I' ' 2' ' ' THR . 11.2 m-85 -132.35 141.9 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.485 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.745 0.307 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.39 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.518 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.453 HD12 HG23 ' B' ' 3' ' ' ILE . 24.7 mt -138.29 137.21 44.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.6 127.89 22.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.307 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.684 ' HB3' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 139.13 33.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.821 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.778 HD11 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.75 103.48 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.833 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.631 HD11 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.72 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.385 179.121 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -128.87 69.1 80.21 Favored Pre-proline 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.66 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.724 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.2 Cg_endo -65.37 145.07 82.34 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.517 2.144 . . . . 0.0 112.037 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.449 ' N ' HG22 ' J' ' 2' ' ' THR . 10.6 m-85 -134.8 141.55 46.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.557 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.14 37.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.422 HD12 HG23 ' C' ' 3' ' ' ILE . 26.1 mt -137.96 137.23 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.055 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 128.13 22.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.326 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.646 ' HB3' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.37 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.951 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.28 6.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.856 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.646 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.02 120.71 41.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.434 179.108 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -129.09 68.9 80.59 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.664 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 32.8 Cg_endo -64.5 145.36 87.45 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.511 2.14 . . . . 0.0 112.021 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -134.76 139.5 45.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.648 0.261 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.88 140.41 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.416 HD12 HG23 ' D' ' 3' ' ' ILE . 30.7 mt -138.25 137.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.89 128.47 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.688 ' HB3' ' HG ' ' L' ' 6' ' ' LEU . . . -141.28 138.84 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.857 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.42 6.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.887 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.648 ' HB3' HD11 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -114.35 120.82 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 110.44 179.143 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.3 68.98 80.91 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.664 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -65.37 145.29 82.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.397 2.065 . . . . 0.0 112.056 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.425 ' H ' HG22 ' L' ' 2' ' ' THR . 10.5 m-85 -134.39 138.37 44.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.904 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.745 0.307 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.06 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.316 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.42 HD12 HG23 ' E' ' 3' ' ' ILE . 28.5 mt -138.05 137.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 128.17 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.431 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.667 ' HB3' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.16 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 111.907 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.47 103.63 6.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.3 120.81 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.49 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -129.34 68.59 80.39 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.2 Cg_endo -64.95 145.23 85.15 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.52 2.146 . . . . 0.0 111.878 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -134.19 138.87 45.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.483 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.735 0.303 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.21 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.278 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.43 HD12 HG23 ' F' ' 3' ' ' ILE . 29.0 mt -138.25 137.17 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 127.9 21.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.662 ' HB3' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.385 . . . . 0.0 111.852 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.31 6.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.912 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.66 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.8 120.92 42.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.493 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -129.64 68.56 80.65 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.607 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 36.7 Cg_endo -65.21 145.18 83.54 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.443 2.095 . . . . 0.0 111.784 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -133.34 138.76 46.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.476 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.792 0.329 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.19 37.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.439 HG23 HD12 ' G' ' 3' ' ' ILE . 29.6 mt -137.98 137.05 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 127.73 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.721 ' HB3' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 138.94 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.007 0.432 . . . . 0.0 111.695 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.818 ' HB3' HD11 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.77 103.12 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.027 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.66 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.93 120.97 42.52 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.474 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 46.5 m -129.66 68.73 80.92 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.758 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.607 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.92 145.04 78.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.363 2.042 . . . . 0.0 111.865 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -132.83 136.9 46.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.178 -179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.45 ' HB2' ' HG1' ' N' ' 2' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.827 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.476 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.38 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.398 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.42 HD12 HG23 ' H' ' 3' ' ' ILE . 39.2 mt -137.5 136.58 46.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.147 0.499 . . . . 0.0 111.362 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.58 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.646 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.681 ' HB3' ' HG ' ' P' ' 6' ' ' LEU . . . -139.84 137.6 35.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.147 0.498 . . . . 0.0 111.615 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.818 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.72 103.23 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.718 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.66 120.99 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.543 179.263 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 46.4 m -129.62 68.17 80.1 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.572 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.7 Cg_endo -65.23 142.57 74.03 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.425 2.083 . . . . 0.0 111.653 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -129.94 137.18 50.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.88 0.371 . . . . 0.0 111.502 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.582 ' HB2' ' HG1' ' O' ' 2' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.89 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.491 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.752 0.311 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.7 37.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.429 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.79 136.75 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 111.625 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.96 16.02 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.651 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.1 138.83 39.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.568 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.806 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.9 105.45 7.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.121 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.655 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.98 120.89 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.646 0.26 . . . . 0.0 110.457 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 51.0 m -129.0 68.19 79.44 Favored Pre-proline 0 C--O 1.231 0.125 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.829 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.3 Cg_endo -65.72 145.13 80.39 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.481 2.12 . . . . 0.0 112.067 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.485 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 10.3 m-85 -132.12 142.17 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.422 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.491 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.724 0.297 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.449 HG22 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.54 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -138.41 137.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.418 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 124.71 17.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.426 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.16 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 111.308 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.847 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 104.46 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.181 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -113.13 120.98 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.487 179.4 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -129.75 68.35 80.49 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 36.5 Cg_endo -65.7 145.38 81.17 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.559 2.173 . . . . 0.0 112.176 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.557 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 10.8 m-85 -133.04 141.99 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.477 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 140.63 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.37 137.09 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 125.1 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.9 139.32 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 111.448 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.847 ' HB3' HD11 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.39 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.041 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.635 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.05 120.66 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.611 0.243 . . . . 0.0 110.474 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -129.62 68.24 80.2 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.623 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 37.2 Cg_endo -66.01 145.49 79.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.559 2.173 . . . . 0.0 112.172 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 10.1 m-85 -133.16 142.35 48.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.818 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.477 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.7 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.735 0.302 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.425 HG22 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.51 37.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.419 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.401 HD12 HG23 ' L' ' 3' ' ' ILE . 38.6 mt -138.88 137.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 111.331 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.55 125.9 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.27 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 104.57 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.626 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.58 41.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.599 0.238 . . . . 0.0 110.43 179.269 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -129.66 68.27 80.28 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.647 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.7 Cg_endo -65.96 145.66 80.47 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.534 2.156 . . . . 0.0 112.312 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 10.7 m-85 -133.43 141.99 48.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.429 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.404 HG21 ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.72 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.491 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -139.9 137.06 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.487 ' HB1' HD11 ' F' ' 7' ' ' LEU . . . -140.66 125.91 18.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.392 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.24 35.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.458 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.828 ' HB3' HD11 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 104.53 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.62 41.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.569 0.223 . . . . 0.0 110.436 179.256 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -129.62 68.26 80.22 Favored Pre-proline 0 CA--C 1.528 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.647 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.2 Cg_endo -65.8 145.37 80.59 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.151 . . . . 0.0 112.229 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.483 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 10.7 m-85 -133.76 141.14 47.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.441 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.45 ' HG1' ' HB2' ' G' ' 11' ' ' SER . 0.2 OUTLIER -139.44 140.75 37.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.53 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -140.24 137.12 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.405 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.457 ' HB1' HD11 ' G' ' 7' ' ' LEU . . . -140.62 125.63 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.35 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.8 139.26 36.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 111.498 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.819 ' HB3' HD11 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.59 104.34 6.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.634 HD11 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.74 120.64 41.51 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.457 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.78 68.08 80.16 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.625 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 35.6 Cg_endo -65.73 145.61 81.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.555 2.17 . . . . 0.0 112.289 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.73 141.43 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.506 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.582 ' HG1' ' HB2' ' H' ' 11' ' ' SER . 0.2 OUTLIER -139.52 140.75 37.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.647 -179.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -140.32 136.99 37.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.319 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.74 124.73 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.378 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.29 139.05 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.442 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.756 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 106.54 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.634 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -115.96 120.43 39.14 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.528 179.364 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -128.83 67.87 78.24 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.766 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.668 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.5 Cg_endo -65.36 145.68 83.85 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.581 2.187 . . . . 0.0 112.204 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -134.47 142.01 46.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.696 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . 0.506 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.59 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.452 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt -138.97 137.58 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.28 125.09 18.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.454 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.32 139.16 35.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.616 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.681 ' HG ' ' HB3' ' H' ' 5' ' ' ALA . 0.0 OUTLIER -131.95 108.08 9.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.633 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.03 120.72 40.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.546 179.465 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -130.01 70.51 82.14 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.668 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.8 Cg_endo -67.53 144.68 67.81 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.515 2.143 . . . . 0.0 112.335 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -134.32 141.26 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.984 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.54 37.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.5 mt -138.53 137.35 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.26 126.48 21.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.306 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.645 ' HB1' ' HG ' ' I' ' 6' ' ' LEU . . . -141.42 139.57 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.816 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.67 6.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.697 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.83 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.55 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -129.02 70.85 81.86 Favored Pre-proline 0 N--CA 1.456 -0.138 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.3 Cg_endo -68.19 144.31 62.41 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.591 2.194 . . . . 0.0 112.127 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' N ' HG23 ' I' ' 2' ' ' THR . 19.7 m-85 -134.0 142.0 47.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.569 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.729 0.3 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.28 37.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.546 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.423 HD13 HG23 ' B' ' 3' ' ' ILE . 27.1 mt -137.9 137.45 44.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.05 19.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.241 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.554 ' HB1' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 140.09 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 111.889 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.881 ' HB3' HD11 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 103.23 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.646 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD11 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.7 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.475 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -128.75 70.08 80.45 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.615 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.81 145.21 74.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.425 2.083 . . . . 0.0 112.146 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.494 ' N ' HG23 ' J' ' 2' ' ' THR . 17.4 m-85 -133.88 139.91 46.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.027 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.551 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.44 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.462 HG23 HD13 ' C' ' 3' ' ' ILE . 30.3 mt -137.72 137.3 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.75 126.22 20.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.596 ' HB1' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.79 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 111.944 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.881 HD11 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.707 ' HB3' HD11 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.2 120.93 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.118 -0.233 . . . . 0.0 110.469 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -129.33 69.91 81.47 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.615 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -66.98 145.2 73.11 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.441 ' N ' HG23 ' K' ' 2' ' ' THR . 17.6 m-85 -133.45 139.01 46.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.595 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.746 0.307 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.11 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.337 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.46 HG23 HD13 ' D' ' 3' ' ' ILE . 28.4 mt -137.68 137.33 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 125.98 19.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.271 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.633 ' HB1' ' HG ' ' L' ' 6' ' ' LEU . . . -141.32 139.68 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.908 ' HB3' HD11 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.11 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.728 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.07 120.85 42.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.562 0.22 . . . . 0.0 110.541 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.36 69.88 81.47 Favored Pre-proline 0 C--O 1.231 0.105 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 38.0 Cg_endo -66.79 145.46 75.1 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.15 . . . . 0.0 112.116 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.461 ' H ' HG23 ' L' ' 2' ' ' THR . 16.4 m-85 -133.22 137.6 46.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.952 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.521 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.661 0.267 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.48 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.377 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.443 HG23 HD13 ' E' ' 3' ' ' ILE . 34.0 mt -138.04 137.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.68 126.18 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.653 ' HB1' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.55 33.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 111.927 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.16 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.677 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD11 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.93 42.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.559 0.219 . . . . 0.0 110.541 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -129.32 69.81 81.4 Favored Pre-proline 0 N--CA 1.456 -0.165 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.99 145.25 73.22 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 111.95 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.425 ' H ' HG23 ' M' ' 2' ' ' THR . 16.9 m-85 -132.89 138.89 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.526 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.39 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.372 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.452 HG23 HD13 ' F' ' 3' ' ' ILE . 35.8 mt -138.08 137.41 44.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 126.12 19.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.252 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.648 ' HB1' ' HG ' ' N' ' 6' ' ' LEU . . . -141.56 139.64 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.911 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.873 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.37 103.01 5.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.785 179.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD11 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 121.05 43.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.635 0.255 . . . . 0.0 110.436 179.194 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -129.79 69.42 81.58 Favored Pre-proline 0 N--CA 1.457 -0.113 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.965 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.608 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 38.5 Cg_endo -66.69 145.39 75.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.509 2.139 . . . . 0.0 111.903 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . 0.408 ' H ' HG23 ' N' ' 2' ' ' THR . 16.0 m-85 -132.55 138.12 47.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.035 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.762 0.315 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.33 37.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' O' ' 8' ' ' SER . 42.6 mt -137.78 137.31 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 126.02 19.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.698 ' HB1' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 139.57 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.834 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.894 ' HB3' HD11 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 102.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.7 179.428 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.85 42.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.678 0.275 . . . . 0.0 110.447 179.338 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -129.71 69.85 81.7 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.2 Cg_endo -67.55 145.23 69.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.377 2.051 . . . . 0.0 111.735 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -131.85 138.54 48.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.7 0.286 . . . . 0.0 111.185 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 11' ' ' SER . . . . . 0.465 ' HB2' ' HG1' ' N' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.83 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . 0.447 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.714 0.293 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.46 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.446 HD12 ' HH ' ' O' ' 10' ' ' TYR . 41.1 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.49 . . . . 0.0 111.349 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.16 18.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.702 ' HB1' ' HG ' ' P' ' 6' ' ' LEU . . . -141.02 139.06 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 111.693 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.894 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.64 103.17 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.579 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.97 120.82 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.481 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -129.67 69.07 81.33 Favored Pre-proline 0 C--O 1.231 0.119 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.726 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.529 ' HB2' HG22 ' O' ' 2' ' ' THR . 42.3 Cg_endo -66.96 143.06 64.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.356 2.038 . . . . 0.0 111.667 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -128.94 138.72 52.15 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.879 0.371 . . . . 0.0 111.533 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 11' ' ' SER . . . . . 0.666 ' HB2' ' HG1' ' O' ' 2' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.81 140.61 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.398 -179.802 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . 0.41 HG23 HD13 ' I' ' 3' ' ' ILE . 43.3 mt -137.45 136.99 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.246 0.546 . . . . 0.0 111.566 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 122.26 15.66 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.515 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.5 139.35 36.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.587 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.921 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 104.47 7.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.03 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.673 HD11 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.0 120.8 41.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.615 0.245 . . . . 0.0 110.5 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 36.4 m -129.3 69.98 81.48 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.547 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 41.6 Cg_endo -67.95 145.43 67.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.462 2.108 . . . . 0.0 112.053 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.569 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.7 m-85 -131.17 141.87 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.194 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.779 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.494 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.64 37.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.297 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . 0.411 HG23 HD13 ' J' ' 3' ' ' ILE . 43.9 mt -137.96 137.21 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.457 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.28 123.56 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.32 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.49 139.65 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.944 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 103.91 6.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.964 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.673 ' HB3' HD11 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.8 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.511 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -129.36 70.3 81.7 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.709 0.29 . . . . 0.0 110.796 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 44.6 Cg_endo -68.92 145.25 61.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.551 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 19.4 m-85 -131.44 142.13 49.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.788 0.327 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.441 HG23 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.85 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.53 137.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.426 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 123.71 16.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.256 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.67 139.6 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.392 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.944 ' HB3' HD11 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.53 103.67 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.664 ' HB3' HD11 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.58 120.91 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.464 179.463 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.41 ' HB3' HD11 ' C' ' 3' ' ' ILE . 39.1 m -129.7 69.83 81.68 Favored Pre-proline 0 CA--C 1.528 0.102 0 CA-C-O 120.704 0.288 . . . . 0.0 110.827 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 45.5 Cg_endo -68.72 145.36 62.98 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.466 2.111 . . . . 0.0 112.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.595 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 19.7 m-85 -131.81 142.3 49.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.461 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.59 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.448 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.52 137.06 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.474 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 123.72 16.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.285 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.81 139.58 34.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.389 . . . . 0.0 111.456 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.58 104.1 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.898 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.69 HD11 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.01 120.88 43.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.51 179.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.437 ' HB3' HD11 ' D' ' 3' ' ' ILE . 31.2 m -129.6 69.68 81.54 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 110.778 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.592 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 43.2 Cg_endo -68.36 145.3 65.04 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.597 2.198 . . . . 0.0 112.23 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.521 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 18.4 m-85 -132.26 142.17 49.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.425 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.62 37.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -139.76 137.05 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' F' ' 7' ' ' LEU . . . -140.61 123.64 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.181 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.1 139.62 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.926 ' HB3' HD11 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.84 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.69 ' HB3' HD11 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.34 120.62 42.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.588 0.233 . . . . 0.0 110.453 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.431 ' HB3' HD11 ' E' ' 3' ' ' ILE . 38.7 m -129.71 69.77 81.66 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.592 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 43.4 Cg_endo -68.25 145.59 66.65 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 112.192 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -132.2 141.86 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.756 0.312 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.465 ' HG1' ' HB2' ' G' ' 11' ' ' SER . 0.2 OUTLIER -139.51 140.72 37.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.564 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.77 137.15 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . 0.407 ' HB2' HD11 ' G' ' 7' ' ' LEU . . . -140.81 122.76 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.327 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.35 139.69 37.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.943 0.402 . . . . 0.0 111.472 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.847 HD11 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.82 104.17 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.901 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.669 ' HB3' HD11 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.01 120.56 41.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.582 179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.41 ' HB3' HD11 ' F' ' 3' ' ' ILE . 44.8 m -129.5 69.33 81.29 Favored Pre-proline 0 CA--C 1.528 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.554 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 40.6 Cg_endo -67.61 145.85 71.49 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.672 2.248 . . . . 0.0 112.201 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 18.8 m-85 -133.04 141.98 48.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.749 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.666 ' HG1' ' HB2' ' H' ' 11' ' ' SER . 0.2 OUTLIER -139.62 140.74 37.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.608 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.99 137.05 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.55 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' H' ' 7' ' ' LEU . . . -140.55 123.7 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.135 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.7 139.58 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.601 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.847 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.94 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.653 ' HB3' HD11 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.51 41.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.649 0.262 . . . . 0.0 110.403 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.438 ' HB3' HD11 ' G' ' 3' ' ' ILE . 39.8 m -129.62 69.67 81.55 Favored Pre-proline 0 CA--C 1.528 0.117 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 39.8 Cg_endo -67.72 145.76 70.49 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . 0.447 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 20.3 m-85 -133.25 142.1 48.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.87 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.434 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mt -139.48 137.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.339 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.05 123.74 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.152 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.54 35.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.605 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.78 ' HB3' HD11 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.37 107.56 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.638 ' HB3' HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.99 120.66 40.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.42 ' HB3' HD11 ' H' ' 3' ' ' ILE . 42.6 m -129.94 71.59 82.14 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.57 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 49.5 Cg_endo -69.41 145.25 58.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.593 2.196 . . . . 0.0 112.173 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -133.91 141.56 47.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.557 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 140.35 38.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.355 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.609 HD13 ' HG ' ' I' ' 8' ' ' SER . 24.4 mt -138.86 137.3 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.08 127.27 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' I' ' 6' ' ' LEU . . . -141.49 139.19 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.753 ' HB3' HD11 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.58 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.951 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.61 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.06 120.86 43.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.418 179.265 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 69.78 81.47 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.67 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.2 Cg_endo -68.04 141.69 53.87 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.517 2.144 . . . . 0.0 112.148 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' N ' HG23 ' I' ' 2' ' ' THR . 11.8 m-85 -130.56 142.81 50.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' TYR . . . . . 0.519 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.695 0.283 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.25 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.843 0.354 . . . . 0.0 111.449 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.604 HD13 ' HG ' ' J' ' 8' ' ' SER . 22.6 mt -138.15 136.97 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.5 127.19 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.276 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.572 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.61 139.5 33.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 111.91 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.762 ' HB3' HD11 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 102.89 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.928 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.644 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.51 120.68 42.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.78 69.48 81.59 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' PRO . . . . . 0.67 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.2 Cg_endo -66.8 145.05 73.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.341 2.028 . . . . 0.0 112.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . 0.479 ' N ' HG23 ' J' ' 2' ' ' THR . 11.6 m-85 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . 0.429 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' TYR . . . . . 0.531 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.708 0.29 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . 0.596 HD13 ' HG ' ' K' ' 8' ' ' SER . 26.3 mt -138.25 137.13 44.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.0 126.94 20.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ALA . . . . . 0.581 ' HB2' ' HG ' ' K' ' 6' ' ' LEU . . . -141.45 139.41 33.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.367 . . . . 0.0 111.922 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.775 ' HB3' HD11 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 102.97 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -112.8 120.97 43.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.041 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 68.63 81.07 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' PRO . . . . . 0.646 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.9 144.89 78.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.441 2.094 . . . . 0.0 111.98 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . 0.484 ' H ' HG23 ' K' ' 2' ' ' THR . 11.3 m-85 -132.84 139.61 47.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' TYR . . . . . 0.526 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.31 37.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.344 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.599 HD13 ' HG ' ' L' ' 8' ' ' SER . 24.6 mt -138.25 137.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 126.62 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.256 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ALA . . . . . 0.564 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.38 139.52 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 111.896 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.16 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.95 121.02 43.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.02 68.61 81.13 Favored Pre-proline 0 C--N 1.333 -0.125 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' PRO . . . . . 0.646 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -66.08 144.98 77.8 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.414 2.076 . . . . 0.0 111.95 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . 0.48 ' H ' HG23 ' L' ' 2' ' ' THR . 11.2 m-85 -132.32 139.59 48.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.503 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.25 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.384 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . 0.549 HD13 ' HG ' ' M' ' 8' ' ' SER . 32.2 mt -138.18 137.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 126.92 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' M' ' 6' ' ' LEU . . . -141.45 139.4 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.872 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' LEU . . . . . 0.759 ' HB3' HD11 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.2 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.891 179.633 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.27 120.85 42.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.015 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.19 68.81 81.54 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.61 145.06 74.85 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.374 2.049 . . . . 0.0 111.828 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.428 ' H ' HG23 ' M' ' 2' ' ' THR . 10.5 m-85 -132.11 139.21 48.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 1' ' ' TYR . . . . . 0.51 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.707 0.289 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.2 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . 0.573 HD13 ' HG ' ' N' ' 8' ' ' SER . 28.4 mt -138.14 137.16 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.95 126.52 20.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 5' ' ' ALA . . . . . 0.559 ' HB2' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.39 33.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 111.834 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.765 ' HB3' HD11 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.14 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.007 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' F' F ' 7' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.06 120.82 42.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 69.05 81.89 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 9' ' ' PRO . . . . . 0.514 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 41.6 Cg_endo -67.24 145.1 71.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.362 2.041 . . . . 0.0 111.681 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -131.69 140.01 49.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.04 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' TYR . . . . . 0.473 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.71 0.29 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.08 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.363 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' ILE . . . . . 0.577 HD13 ' HG ' ' O' ' 8' ' ' SER . 28.6 mt -138.33 137.12 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.042 0.449 . . . . 0.0 111.25 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.13 126.69 20.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.304 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' ALA . . . . . 0.606 ' HB2' ' HG ' ' O' ' 6' ' ' LEU . . . -141.4 139.24 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' LEU . . . . . 0.782 ' HB3' HD11 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 103.42 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.891 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.91 42.56 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.365 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 67.9 80.35 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.045 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 9' ' ' PRO . . . . . 0.514 ' HG2' ' HB3' ' F' ' 9' ' ' PRO . 39.1 Cg_endo -66.25 144.64 75.44 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.39 2.06 . . . . 0.0 111.591 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -130.93 139.99 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.883 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 3' ' ' ILE . . . . . 0.542 HD13 ' HG ' ' P' ' 8' ' ' SER . 30.9 mt -137.55 136.53 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.15 0.5 . . . . 0.0 111.371 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.88 125.64 19.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.514 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 5' ' ' ALA . . . . . 0.584 ' HB2' ' HG ' ' P' ' 6' ' ' LEU . . . -141.18 138.87 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.698 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.782 HD11 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.81 103.12 6.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.833 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' H' H ' 7' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.357 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 68.11 80.81 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.783 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 9' ' ' PRO . . . . . 0.556 ' HB2' HG22 ' O' ' 2' ' ' THR . 42.2 Cg_endo -66.65 142.72 65.33 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.34 2.027 . . . . 0.0 111.587 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -128.28 139.52 52.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.887 0.375 . . . . 0.0 111.569 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.877 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 1' ' ' TYR . . . . . 0.47 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.729 0.3 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 2' ' ' THR . . . . . 0.491 HG23 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.32 140.68 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 -179.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -137.98 136.78 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 111.628 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.56 121.63 14.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.64 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.08 139.24 39.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 111.517 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 6' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.73 104.9 7.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.219 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 7' ' ' LEU . . . . . 0.604 ' O ' ' HA ' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.72 120.89 42.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.609 ' HG ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -129.9 68.23 80.5 Favored Pre-proline 0 C--O 1.231 0.107 0 CA-C-O 120.672 0.272 . . . . 0.0 110.928 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 9' ' ' PRO . . . . . 0.539 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.5 Cg_endo -66.63 145.08 74.79 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.415 2.077 . . . . 0.0 112.059 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . 0.519 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 11.1 m-85 -130.55 143.39 50.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 11' ' ' SER . . . . . 0.446 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 1' ' ' TYR . . . . . 0.47 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.794 0.33 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 2' ' ' THR . . . . . 0.479 HG23 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.67 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.431 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 3' ' ' ILE . . . . . 0.404 HG22 HD13 ' J' ' 3' ' ' ILE . 34.0 mt -138.5 137.11 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.32 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 124.04 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.344 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.08 139.43 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 111.289 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 104.22 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 7' ' ' LEU . . . . . 0.604 ' HA ' ' O ' ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.2 120.8 43.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.386 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 0.604 ' HG ' HD13 ' B' ' 3' ' ' ILE . 0.1 OUTLIER -130.49 68.72 81.74 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.669 0.271 . . . . 0.0 110.999 -179.832 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 9' ' ' PRO . . . . . 0.573 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 41.0 Cg_endo -67.76 145.29 68.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.546 2.164 . . . . 0.0 112.073 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . 0.531 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 11.0 m-85 -130.89 144.37 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 11' ' ' SER . . . . . 0.446 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 1' ' ' TYR . . . . . 0.47 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 2' ' ' THR . . . . . 0.484 HG23 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.482 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' K' K ' 3' ' ' ILE . . . . . 0.415 HG22 HD13 ' K' ' 3' ' ' ILE . 34.8 mt -138.82 137.08 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.369 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.97 16.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.46 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 6' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.06 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' K' K ' 7' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.87 120.79 43.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.474 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' K' K ' 8' ' ' SER . . . . . 0.596 ' HG ' HD13 ' C' ' 3' ' ' ILE . 0.1 OUTLIER -130.24 68.77 81.55 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.695 0.283 . . . . 0.0 110.96 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' K' K ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -67.84 145.38 68.43 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.472 2.115 . . . . 0.0 112.102 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 11.1 m-85 -131.07 143.1 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.182 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 11' ' ' SER . . . . . 0.494 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 2' ' ' THR . . . . . 0.48 HG23 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.64 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' L' L ' 3' ' ' ILE . . . . . 0.417 HG22 HD13 ' L' ' 3' ' ' ILE . 34.8 mt -139.05 137.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.375 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.78 123.98 16.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.98 139.43 36.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.805 ' HB3' HD11 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 104.21 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' L' L ' 7' ' ' LEU . . . . . 0.615 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.08 120.96 43.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.361 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' L' L ' 8' ' ' SER . . . . . 0.599 ' HG ' HD13 ' D' ' 3' ' ' ILE . 0.1 OUTLIER -130.3 67.65 80.23 Favored Pre-proline 0 CA--C 1.529 0.136 0 CA-C-O 120.624 0.249 . . . . 0.0 110.98 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' L' L ' 9' ' ' PRO . . . . . 0.61 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.5 Cg_endo -66.55 145.59 76.88 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.566 2.177 . . . . 0.0 112.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 10' ' ' TYR . . . . . 0.503 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 11.2 m-85 -132.05 143.53 50.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 11' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' M' M ' 1' ' ' TYR . . . . . 0.41 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 2' ' ' THR . . . . . 0.428 HG23 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.72 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.395 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.0 137.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.125 0.488 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.74 124.57 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.3 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.45 139.58 35.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.281 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' M' M ' 6' ' ' LEU . . . . . 0.786 HD11 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 104.01 6.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' M' M ' 7' ' ' LEU . . . . . 0.615 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.35 120.67 42.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' M' M ' 8' ' ' SER . . . . . 0.549 ' HG ' HD13 ' E' ' 3' ' ' ILE . 0.1 OUTLIER -130.56 68.69 81.77 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.055 -179.85 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' M' M ' 9' ' ' PRO . . . . . 0.605 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 38.2 Cg_endo -67.23 145.64 73.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.575 2.183 . . . . 0.0 112.14 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' M' M ' 10' ' ' TYR . . . . . 0.51 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 11.2 m-85 -131.93 143.2 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 1' ' ' TYR . . . . . 0.45 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 2' ' ' THR . . . . . 0.439 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.64 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.564 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 3' ' ' ILE . . . . . 0.424 HG22 HD13 ' N' ' 3' ' ' ILE . 35.9 mt -140.28 137.06 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.114 0.483 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 124.36 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.427 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.09 139.44 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 111.377 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' N' N ' 6' ' ' LEU . . . . . 0.786 ' HB3' HD11 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 104.67 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 7' ' ' LEU . . . . . 0.592 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.65 41.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.296 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 8' ' ' SER . . . . . 0.573 ' HG ' HD13 ' F' ' 3' ' ' ILE . 0.1 OUTLIER -129.95 67.72 79.9 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' N' N ' 9' ' ' PRO . . . . . 0.605 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.1 Cg_endo -66.36 145.48 77.67 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.093 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 10' ' ' TYR . . . . . 0.445 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 11.4 m-85 -132.21 142.94 49.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' N' N ' 11' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' O' O ' 1' ' ' TYR . . . . . 0.45 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.736 0.303 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 2' ' ' THR . . . . . 0.556 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.76 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.732 -179.434 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mt -141.2 136.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.087 0.47 . . . . 0.0 111.515 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 124.42 17.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.392 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.51 36.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.444 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 6' ' ' LEU . . . . . 0.778 ' HB3' HD11 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.0 104.69 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.068 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' O' O ' 7' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.29 120.63 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.601 0.239 . . . . 0.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' O' O ' 8' ' ' SER . . . . . 0.577 ' HG ' HD13 ' G' ' 3' ' ' ILE . 0.1 OUTLIER -130.05 68.21 80.65 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' O' O ' 9' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 37.2 Cg_endo -66.6 145.62 76.74 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.594 2.196 . . . . 0.0 112.018 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' O' O ' 10' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.77 142.74 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' O' O ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.77 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.368 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.23 137.51 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.16 123.72 17.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.302 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.83 139.35 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.695 0.283 . . . . 0.0 111.52 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 6' ' ' LEU . . . . . 0.69 ' HB3' HD11 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 107.21 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 7' ' ' LEU . . . . . 0.558 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.26 120.71 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.458 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 8' ' ' SER . . . . . 0.542 ' HG ' HD13 ' H' ' 3' ' ' ILE . 0.1 OUTLIER -130.75 70.2 82.48 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 46.9 Cg_endo -68.9 145.17 61.29 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.557 2.172 . . . . 0.0 112.14 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -132.8 143.13 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 11' ' ' SER . . . . . 0.456 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.45 38.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.374 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' I' ' 8' ' ' SER . 36.5 mt -139.08 134.28 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.02 119.19 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.9 30.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.39 136.51 48.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.26 121.42 15.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -123.54 70.94 47.09 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.923 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.4 Cg_endo -66.53 141.64 61.79 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.62 2.213 . . . . 0.0 112.002 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' N ' HG21 ' I' ' 2' ' ' THR . 8.2 m-85 -133.72 140.97 47.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 23.0 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.49 37.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.515 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 32.6 mt -138.34 134.87 44.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.29 118.86 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.862 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.52 137.79 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.294 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.6 136.5 47.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.819 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.17 121.25 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.769 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -123.48 70.63 45.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.865 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.1 Cg_endo -64.43 145.41 87.88 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.353 2.035 . . . . 0.0 111.916 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.643 ' N ' HG21 ' J' ' 2' ' ' THR . 7.0 m-85 -136.73 138.41 40.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.545 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 18.0 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.48 37.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' K' ' 8' ' ' SER . 37.0 mt -138.39 134.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.579 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.35 118.91 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.003 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.46 138.14 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.693 0.282 . . . . 0.0 111.271 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.67 136.55 47.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.83 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.856 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.39 14.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.726 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 69.96 49.14 Favored Pre-proline 0 C--O 1.233 0.187 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.904 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.636 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.1 Cg_endo -64.79 144.43 83.53 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.566 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -134.81 140.01 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.618 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 17.3 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.724 0.297 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.491 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -138.17 134.63 44.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.38 118.87 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.864 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.41 137.61 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.701 0.286 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.39 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.725 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.856 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.34 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.758 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -124.3 70.19 52.83 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.929 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.636 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 33.2 Cg_endo -64.82 144.99 85.23 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.263 1.976 . . . . 0.0 111.956 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' L' ' 2' ' ' THR . 7.0 m-85 -134.99 138.48 44.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.618 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 13.2 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.25 37.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.6 mt -138.08 134.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.25 118.75 11.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.798 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.62 137.64 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.57 48.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.794 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.49 121.47 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m -124.08 69.62 49.38 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.618 0.246 . . . . 0.0 111.029 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 31.2 Cg_endo -64.22 145.1 88.33 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.351 2.034 . . . . 0.0 111.718 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' M' ' 2' ' ' THR . 6.6 m-85 -135.48 138.61 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 10.7 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.561 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.658 0.266 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 139.98 37.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' N' ' 8' ' ' SER . 40.1 mt -137.82 134.32 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.57 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.58 137.74 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.5 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.735 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.5 121.35 14.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.24 69.46 50.61 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 32.8 Cg_endo -64.34 144.95 87.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.356 2.038 . . . . 0.0 111.652 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.575 ' H ' HG21 ' N' ' 2' ' ' THR . 6.2 m-85 -134.74 138.01 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 13.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.517 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.2 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.528 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.1 mt -137.69 133.99 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.38 118.72 11.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.819 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.483 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.61 137.88 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.764 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.33 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.872 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.38 69.75 52.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-O 120.631 0.253 . . . . 0.0 111.046 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -65.26 143.24 76.5 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.342 2.028 . . . . 0.0 111.544 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.457 ' H ' HG21 ' O' ' 2' ' ' THR . 6.0 m-85 -132.67 139.41 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 14.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.517 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.2 38.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.339 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' P' ' 8' ' ' SER . 46.9 mt -137.37 133.25 46.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.15 118.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.518 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.68 138.11 30.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.13 47.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.03 121.42 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.56 69.5 54.05 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.0 Cg_endo -64.81 141.84 73.48 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.359 2.039 . . . . 0.0 111.601 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.08 136.02 48.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.913 0.387 . . . . 0.0 111.559 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 9.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.854 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.607 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.79 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.381 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.8 mt -139.89 134.01 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.115 0.483 . . . . 0.0 111.715 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.06 119.39 12.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.851 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.67 138.27 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.46 135.85 47.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.1 121.1 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.453 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' A' ' 3' ' ' ILE . 21.1 m -124.15 69.64 50.07 Favored Pre-proline 0 C--O 1.232 0.139 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.5 Cg_endo -64.76 144.72 84.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.316 2.011 . . . . 0.0 112.014 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.5 m-85 -132.66 142.14 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.289 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.753 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.758 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.722 0.296 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.643 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.36 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 111.425 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -139.13 134.65 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.269 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.33 119.54 12.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.582 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.91 138.32 31.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.647 0.261 . . . . 0.0 111.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.39 48.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.854 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 120.93 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.3 m -124.22 70.08 51.8 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.612 0.244 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.7 Cg_endo -65.69 144.72 79.16 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.366 2.044 . . . . 0.0 112.098 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.554 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.4 m-85 -133.26 142.28 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.753 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.4 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.586 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.768 0.318 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.566 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.447 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.09 135.15 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.59 119.36 11.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -141.97 137.81 31.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.26 136.33 48.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.879 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.04 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.667 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' C' ' 3' ' ' ILE . 18.6 m -124.59 69.57 54.45 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 33.9 Cg_endo -65.29 145.13 82.96 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.45 2.1 . . . . 0.0 112.051 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.3 m-85 -133.96 141.86 47.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.735 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 12.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.655 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.761 0.315 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.46 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.444 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -139.58 135.15 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.284 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.5 119.6 12.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.772 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -141.9 137.95 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.694 0.283 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.31 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.799 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.93 120.92 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' D' ' 3' ' ' ILE . 18.1 m -124.38 69.87 53.04 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.6 Cg_endo -65.29 145.15 82.99 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.485 2.123 . . . . 0.0 112.174 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.4 m-85 -134.33 141.64 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.735 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.663 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.25 140.51 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.536 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.01 135.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.309 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.5 119.44 11.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.691 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.03 137.82 31.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.678 0.275 . . . . 0.0 111.258 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.688 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.41 136.55 48.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.971 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.81 120.91 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.724 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.567 ' HB2' HD13 ' E' ' 3' ' ' ILE . 19.4 m -124.45 69.56 53.04 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.854 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.3 Cg_endo -65.06 145.15 84.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.459 2.106 . . . . 0.0 112.052 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.561 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.8 m-85 -134.37 141.24 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 16.4 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.663 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.575 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.73 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.431 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -140.58 135.43 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.088 0.47 . . . . 0.0 111.376 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.5 119.46 11.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.08 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.59 0.233 . . . . 0.0 111.332 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.24 47.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.95 13.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.687 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' F' ' 3' ' ' ILE . 19.0 m -124.34 69.31 51.36 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.655 0.264 . . . . 0.0 110.797 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.554 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 32.2 Cg_endo -64.7 145.68 87.18 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.46 2.107 . . . . 0.0 112.035 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.8 m-85 -134.97 141.2 46.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 17.6 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.594 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.724 0.297 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.25 140.7 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.658 -179.373 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mt -141.11 135.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.527 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.62 119.46 11.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.763 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.22 137.55 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 0.0 111.263 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.31 47.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.91 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.685 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' G' ' 3' ' ' ILE . 16.2 m -124.45 69.53 52.95 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.646 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.0 Cg_endo -64.84 145.45 86.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.512 2.141 . . . . 0.0 112.17 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.5 m-85 -135.57 141.54 45.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 19.4 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.588 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.55 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.433 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 mt -139.84 136.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.225 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.31 119.6 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 137.37 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.583 0.23 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.04 136.37 48.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.702 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.18 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.57 ' HB2' HD13 ' H' ' 3' ' ' ILE . 17.2 m -125.14 71.17 62.82 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.646 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.5 Cg_endo -66.28 144.6 75.11 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.488 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.0 m-85 -135.27 140.57 45.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 20.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.2 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' I' ' 8' ' ' SER . 39.3 mt -139.3 133.57 39.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.94 119.35 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.799 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.69 31.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.84 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.43 121.45 15.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -123.64 70.41 46.74 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.901 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.612 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -65.99 142.08 66.98 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.544 2.163 . . . . 0.0 112.181 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' N ' HG21 ' I' ' 2' ' ' THR . 7.1 m-85 -134.67 141.06 46.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.566 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.3 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' J' ' 8' ' ' SER . 38.0 mt -138.48 134.48 43.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.28 118.9 11.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.09 30.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.265 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.45 136.51 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.859 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.28 121.13 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.41 70.18 43.93 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.626 0.251 . . . . 0.0 110.936 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 30.7 Cg_endo -64.28 145.18 88.19 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.339 2.026 . . . . 0.0 112.135 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.628 ' N ' HG21 ' J' ' 2' ' ' THR . 6.8 m-85 -136.66 140.14 42.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.6 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.701 0.286 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.34 37.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.459 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' K' ' 8' ' ' SER . 41.0 mt -138.43 134.16 43.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.036 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.581 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.93 11.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.747 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.401 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.48 137.03 30.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 0.0 111.258 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.24 136.33 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.76 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.859 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.4 14.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.58 69.73 44.53 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-O 120.666 0.27 . . . . 0.0 111.069 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.634 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 30.5 Cg_endo -63.87 144.88 89.58 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.325 2.017 . . . . 0.0 111.895 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.575 ' N ' HG21 ' K' ' 2' ' ' THR . 6.4 m-85 -136.3 139.57 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.848 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.502 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.585 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.809 0.337 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.38 140.23 37.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.401 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' L' ' 8' ' ' SER . 45.2 mt -138.35 134.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.34 118.73 11.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.736 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.47 137.14 30.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.676 0.275 . . . . 0.0 111.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.3 136.39 48.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.789 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.41 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -123.7 69.6 45.42 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 32.2 Cg_endo -64.46 144.65 85.94 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.336 2.024 . . . . 0.0 111.843 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 6.1 m-85 -135.17 139.79 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.991 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.585 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.647 0.26 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.27 37.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.9 mt -138.19 134.35 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.47 118.96 11.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.864 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.44 137.12 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.693 0.282 . . . . 0.0 111.337 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.48 47.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.789 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.55 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 43.1 m -123.87 69.35 46.55 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.969 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 32.0 Cg_endo -64.03 144.59 87.99 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.331 2.021 . . . . 0.0 111.748 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' M' ' 2' ' ' THR . 6.0 m-85 -135.34 138.09 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.527 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.579 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.675 0.274 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.15 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' N' ' 8' ' ' SER . 42.6 mt -138.06 133.83 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.45 118.66 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 137.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.272 . . . . 0.0 111.297 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.63 48.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.825 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.772 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.39 14.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.874 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -124.12 69.26 48.93 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 30.2 Cg_endo -63.7 144.98 90.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.823 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.62 ' H ' HG21 ' N' ' 2' ' ' THR . 6.0 m-85 -135.56 137.89 42.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.184 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.816 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.725 0.298 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.14 37.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' O' ' 8' ' ' SER . 48.2 mt -138.05 133.78 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -141.38 118.76 11.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.86 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.69 137.3 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.662 0.267 . . . . 0.0 111.375 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.58 48.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.709 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.53 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -124.25 68.81 49.18 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 31.6 Cg_endo -63.71 144.7 89.92 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.372 2.048 . . . . 0.0 111.548 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' O' ' 2' ' ' THR . 5.6 m-85 -134.74 139.3 45.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.031 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.625 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.977 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.697 0.284 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 139.89 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.399 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' P' ' 8' ' ' SER . 51.3 mt -137.42 133.02 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.313 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.94 118.52 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.51 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.69 137.66 30.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.462 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.27 47.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.867 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.703 HD21 HD23 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.91 121.52 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.721 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.46 68.09 49.48 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.979 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 31.5 Cg_endo -63.42 142.55 85.62 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.339 2.026 . . . . 0.0 111.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.402 ' H ' HG21 ' P' ' 2' ' ' THR . 5.3 m-85 -132.1 137.22 47.65 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.542 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.61 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -139.77 134.11 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.097 0.475 . . . . 0.0 111.546 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.32 119.5 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.819 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 5' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.65 137.8 32.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.562 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.55 136.26 47.69 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.028 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.31 120.93 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.433 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 3' ' ' ILE . 50.3 m -123.69 68.71 43.07 Favored Pre-proline 0 C--O 1.232 0.162 0 CA-C-O 120.561 0.22 . . . . 0.0 110.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 30.4 Cg_endo -63.72 145.03 90.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.372 2.048 . . . . 0.0 112.053 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.566 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 6.3 m-85 -133.41 141.86 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.642 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.519 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.628 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.68 37.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -139.31 134.71 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.329 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.85 12.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.659 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.7 137.76 31.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.197 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.633 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.33 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.804 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.716 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.08 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.529 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.3 m -124.3 69.18 50.61 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-O 120.657 0.265 . . . . 0.0 110.925 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 31.9 Cg_endo -64.77 145.21 85.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.507 2.138 . . . . 0.0 112.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.56 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.4 m-85 -134.57 141.71 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.657 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.727 0.299 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.575 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.55 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.327 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.61 135.16 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.371 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.78 119.59 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.657 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.76 137.51 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.661 0.267 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.42 48.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.716 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.98 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.524 ' HB2' HD13 ' C' ' 3' ' ' ILE . 50.5 m -124.49 68.78 51.61 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 120.614 0.245 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 31.4 Cg_endo -64.48 145.41 87.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.431 2.087 . . . . 0.0 112.178 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.564 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 6.9 m-85 -134.45 141.74 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 6.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.683 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.685 0.278 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.7 140.48 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.365 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -139.76 135.46 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.64 119.68 12.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.01 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.671 0.272 . . . . 0.0 111.183 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.25 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.887 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.89 121.02 13.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.507 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.9 m -124.17 68.7 48.11 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.93 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.19 145.21 88.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.45 2.1 . . . . 0.0 112.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.0 m-85 -134.58 141.77 46.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.602 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 7.1 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.705 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.71 0.29 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.59 140.32 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.481 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 mt -139.74 135.28 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.65 119.6 11.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.723 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.08 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.601 0.238 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.707 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.38 47.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.899 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.68 13.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.512 ' HB2' HD13 ' E' ' 3' ' ' ILE . 50.7 m -123.95 68.69 45.78 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.71 0.291 . . . . 0.0 110.879 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.631 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 30.6 Cg_endo -64.16 145.33 88.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.601 2.201 . . . . 0.0 112.193 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.0 m-85 -135.21 141.14 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.799 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.705 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.62 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.51 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.43 135.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.54 119.67 12.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.652 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.614 0.245 . . . . 0.0 111.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.727 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.43 47.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.81 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.728 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.508 ' HB2' HD13 ' F' ' 3' ' ' ILE . 50.0 m -124.2 68.77 48.63 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.16 145.75 89.57 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.557 2.171 . . . . 0.0 112.118 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.1 m-85 -135.83 140.72 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.5 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.3 135.29 31.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.105 0.479 . . . . 0.0 111.439 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.61 119.64 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.712 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.9 137.18 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.715 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.27 47.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.877 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.88 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.518 ' HB2' HD13 ' G' ' 3' ' ' ILE . 49.6 m -124.49 68.7 51.46 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.677 0.275 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.653 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.2 Cg_endo -64.39 145.4 88.03 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.46 2.107 . . . . 0.0 112.223 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' G' ' 3' ' ' ILE . 7.4 m-85 -135.5 141.38 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.547 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 2' ' ' THR . . . . . 0.402 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.76 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.529 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -140.7 135.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.35 119.73 12.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.48 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.569 0.224 . . . . 0.0 111.317 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.703 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.52 48.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.16 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.527 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.0 m -124.93 70.44 59.72 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.653 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.3 Cg_endo -65.69 145.04 80.31 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.598 2.199 . . . . 0.0 112.375 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' H' ' 3' ' ' ILE . 8.2 m-85 -136.17 141.14 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.685 0.279 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.24 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.2 mt -138.58 133.36 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.92 118.98 11.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.24 31.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.15 136.58 48.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.812 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.69 121.33 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -123.81 70.42 48.48 Favored Pre-proline 0 C--O 1.232 0.154 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.606 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.8 Cg_endo -66.58 142.0 62.96 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.172 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.669 ' N ' HG21 ' I' ' 2' ' ' THR . 9.7 m-85 -134.68 140.58 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.596 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.739 0.304 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 39.4 mt -138.06 133.92 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.366 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.3 118.98 11.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.837 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.44 138.15 30.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.411 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.21 136.65 48.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.717 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.833 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.99 121.16 14.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -123.76 70.27 47.68 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.606 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.8 Cg_endo -65.24 144.74 82.06 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.216 1.944 . . . . 0.0 112.106 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.653 ' N ' HG21 ' J' ' 2' ' ' THR . 9.1 m-85 -136.56 139.43 42.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.802 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.583 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.685 0.279 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.13 37.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.318 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' K' ' 8' ' ' SER . 40.8 mt -137.79 133.63 45.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.83 11.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.714 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.39 138.35 31.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.651 0.262 . . . . 0.0 111.332 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 136.64 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.852 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.19 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.735 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -123.9 69.67 47.69 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.7 Cg_endo -64.98 144.86 84.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.387 2.058 . . . . 0.0 112.071 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.578 ' N ' HG21 ' K' ' 2' ' ' THR . 8.7 m-85 -135.86 139.35 43.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.32 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.256 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.8 mt -138.14 133.9 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.992 0.425 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.39 118.84 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.46 138.14 30.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.348 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.63 48.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.763 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.43 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -123.95 69.35 47.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.968 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 35.4 Cg_endo -65.17 143.82 79.16 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.366 2.044 . . . . 0.0 111.912 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' L' ' 2' ' ' THR . 8.5 m-85 -134.59 138.91 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.32 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.349 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.9 mt -137.96 133.68 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.3 118.78 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.757 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.51 138.18 30.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.349 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.57 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.813 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.26 121.4 14.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.4 69.66 52.77 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.944 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 32.8 Cg_endo -64.74 144.72 84.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.464 2.109 . . . . 0.0 111.871 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.6 ' H ' HG21 ' M' ' 2' ' ' THR . 8.1 m-85 -135.5 138.36 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.15 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.828 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.548 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.691 0.281 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.434 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' N' ' 8' ' ' SER . 43.1 mt -138.0 133.4 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.79 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.63 138.52 30.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.641 0.258 . . . . 0.0 111.422 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.73 48.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.802 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.38 14.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.3 68.76 49.56 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.971 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.72 144.21 83.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.385 2.057 . . . . 0.0 111.663 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.543 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -134.31 138.46 44.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.124 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.548 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.3 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.2 mt -137.86 133.35 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.34 118.66 11.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.76 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.62 138.4 30.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.359 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 136.62 47.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.834 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.756 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.26 121.44 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -124.46 68.89 51.62 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.931 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.2 Cg_endo -64.74 144.36 83.54 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.36 2.04 . . . . 0.0 111.494 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.528 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.04 139.16 45.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.151 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.936 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.749 0.309 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.25 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.368 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.1 mt -137.03 133.04 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.0 118.27 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.864 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.523 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.71 138.58 30.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 0.0 111.446 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.6 136.27 47.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.45 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.749 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 68.38 52.92 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.994 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 32.8 Cg_endo -63.76 143.42 86.35 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.311 2.007 . . . . 0.0 111.675 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.461 ' H ' HG21 ' P' ' 2' ' ' THR . 6.7 m-85 -133.0 136.16 45.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.823 0.344 . . . . 0.0 111.574 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.97 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.704 0.288 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.669 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.73 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.379 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -138.74 133.66 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.144 0.497 . . . . 0.0 111.637 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.11 119.3 12.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.744 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.84 138.96 32.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.358 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.484 HD23 HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.67 136.32 47.59 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.94 121.15 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 3' ' ' ILE . 15.8 m -124.06 68.26 45.8 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.994 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.3 Cg_endo -63.91 145.18 89.93 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.357 2.038 . . . . 0.0 112.23 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.596 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.69 142.01 47.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.797 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.754 0.311 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.653 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.01 140.55 38.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.341 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -138.4 134.34 43.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.366 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.38 119.61 12.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.707 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.82 138.26 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.281 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.31 136.43 48.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.801 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.1 m -124.65 69.31 54.48 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.718 0.294 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.7 Cg_endo -65.18 145.26 83.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.517 2.144 . . . . 0.0 112.01 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.583 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.36 142.1 47.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.446 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.578 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.33 140.61 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.332 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 mt -138.87 134.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.403 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.56 119.47 11.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.671 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.99 138.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.693 0.282 . . . . 0.0 111.246 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.621 HD23 HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.12 136.22 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.792 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.98 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' C' ' 3' ' ' ILE . 16.2 m -124.64 69.48 54.77 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.849 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.7 Cg_endo -65.55 145.15 81.44 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.064 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.549 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.2 m-85 -134.34 142.08 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.678 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.679 0.276 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.36 140.57 37.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.268 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.97 135.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.989 0.423 . . . . 0.0 111.436 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.69 119.36 11.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.681 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.14 31.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.643 0.259 . . . . 0.0 111.245 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.645 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.32 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.717 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' D' ' 3' ' ' ILE . 16.5 m -124.64 68.9 53.5 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.672 0.273 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.3 Cg_endo -65.11 145.21 84.21 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.424 2.083 . . . . 0.0 112.074 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.6 m-85 -134.59 141.88 46.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.681 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.718 0.294 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.6 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.46 37.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.353 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.23 135.15 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.474 . . . . 0.0 111.41 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.58 119.35 11.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 137.88 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.627 0.251 . . . . 0.0 111.316 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.659 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.37 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 120.89 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.552 ' HB2' HD13 ' E' ' 3' ' ' ILE . 16.4 m -124.68 69.11 54.41 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.689 0.28 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.6 Cg_endo -65.31 145.43 83.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.518 2.146 . . . . 0.0 112.095 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.9 m-85 -135.08 141.84 46.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.681 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.543 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.57 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.396 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -139.88 135.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.547 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.66 119.49 11.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.635 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.03 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 111.276 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.5 136.3 47.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' F' ' 3' ' ' ILE . 16.0 m -124.38 68.97 50.95 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 31.7 Cg_endo -64.65 145.51 87.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.529 2.152 . . . . 0.0 112.085 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.501 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 9.1 m-85 -135.97 141.27 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.684 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.528 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.62 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.495 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 mt -140.48 134.84 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.079 0.466 . . . . 0.0 111.568 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.38 119.39 11.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.643 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.75 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 111.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.756 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.43 136.47 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 120.83 13.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.559 ' HB2' HD13 ' G' ' 3' ' ' ILE . 15.7 m -124.31 68.81 49.87 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.6 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 32.5 Cg_endo -64.84 145.45 86.11 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.53 2.153 . . . . 0.0 112.204 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' G' ' 3' ' ' ILE . 9.4 m-85 -135.85 141.98 44.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.684 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.81 0.338 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 2' ' ' THR . . . . . 0.461 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -138.86 140.55 38.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.343 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -139.95 134.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.43 119.74 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.683 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.28 32.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.627 0.251 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.723 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.52 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.62 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.712 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.18 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.772 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' H' ' 3' ' ' ILE . 16.0 m -124.89 70.59 59.64 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.6 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.1 Cg_endo -66.41 144.98 75.76 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.564 2.176 . . . . 0.0 112.208 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' H' ' 3' ' ' ILE . 10.6 m-85 -136.27 141.66 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.87 0.367 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.7 mt -138.54 133.97 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.591 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.2 118.96 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.38 136.04 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -130.08 136.23 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.792 0.33 . . . . 0.0 110.516 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.791 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.35 121.41 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -122.54 71.22 37.32 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -66.15 142.48 67.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.507 2.138 . . . . 0.0 112.036 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.637 ' N ' HG21 ' I' ' 2' ' ' THR . 8.7 m-85 -135.25 141.14 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.544 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.731 0.301 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.37 37.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.297 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.499 HD13 ' HB2' ' J' ' 8' ' ' SER . 35.9 mt -137.42 134.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.27 118.79 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.877 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.51 136.29 29.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.695 0.283 . . . . 0.0 111.308 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.04 136.17 48.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.551 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.844 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.36 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.873 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -122.24 70.22 31.95 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 28.7 Cg_endo -63.71 145.31 90.97 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.194 1.929 . . . . 0.0 111.949 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.642 ' N ' HG21 ' J' ' 2' ' ' THR . 7.6 m-85 -137.45 139.5 40.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.029 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.586 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.704 0.288 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.35 37.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' K' ' 8' ' ' SER . 39.2 mt -137.19 134.47 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.609 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.714 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.68 136.02 28.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.12 136.12 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.723 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.844 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.57 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -122.56 70.3 35.44 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 29.3 Cg_endo -63.91 145.26 90.01 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.315 2.01 . . . . 0.0 111.949 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.6 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -136.77 139.43 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.835 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.591 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.06 37.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -137.15 134.26 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.609 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.35 118.72 11.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.67 136.41 29.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.307 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.6 OUTLIER -131.28 136.38 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.641 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.52 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -122.69 70.09 36.32 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 110.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.573 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 31.0 Cg_endo -64.16 145.22 88.8 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.367 2.045 . . . . 0.0 111.85 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.59 ' H ' HG21 ' L' ' 2' ' ' THR . 7.4 m-85 -136.36 138.87 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.591 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.767 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 140.11 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.195 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.0 mt -136.88 134.29 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.426 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.78 136.58 28.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.558 0.218 . . . . 0.0 111.339 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.46 136.21 47.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.652 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.59 14.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.06 69.83 39.46 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.686 0.279 . . . . 0.0 111.01 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.609 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 30.3 Cg_endo -63.93 144.83 89.13 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.378 2.052 . . . . 0.0 111.879 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.593 ' H ' HG21 ' M' ' 2' ' ' THR . 7.2 m-85 -135.72 138.0 42.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.106 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.813 0.34 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.36 37.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' N' ' 8' ' ' SER . 44.1 mt -137.29 133.92 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.36 118.43 11.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.746 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.75 136.26 28.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.374 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.6 OUTLIER -131.17 136.11 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.673 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 121.53 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -123.02 69.34 37.79 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.609 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 29.8 Cg_endo -63.66 144.74 90.29 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.413 2.075 . . . . 0.0 111.761 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' N' ' 2' ' ' THR . 6.6 m-85 -135.31 137.44 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.059 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.551 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.736 0.303 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.15 37.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' O' ' 10' ' ' TYR . 47.5 mt -136.91 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.42 118.45 11.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.758 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.459 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.78 136.21 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 0.6 OUTLIER -131.3 136.28 48.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.723 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.46 14.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.85 69.48 36.45 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.985 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' H' ' 9' ' ' PRO . 31.1 Cg_endo -64.07 143.96 85.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.401 2.067 . . . . 0.0 111.671 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.537 ' H ' HG21 ' O' ' 2' ' ' THR . 6.5 m-85 -134.12 137.96 44.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.065 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.551 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.732 0.301 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.28 37.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' P' ' 10' ' ' TYR . 49.7 mt -136.58 133.57 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.049 0.452 . . . . 0.0 111.269 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.17 118.15 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.805 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.86 136.1 28.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.488 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.31 135.9 47.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.795 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.14 121.48 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -123.41 69.2 41.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.859 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.0 Cg_endo -63.71 143.09 85.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.413 2.075 . . . . 0.0 111.541 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.502 ' H ' HG21 ' P' ' 2' ' ' THR . 6.1 m-85 -132.98 134.62 44.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.578 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.637 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.68 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.93 133.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.183 0.516 . . . . 0.0 111.63 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.14 119.2 11.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.616 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 137.41 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.324 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.49 135.92 47.48 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.005 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.06 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' A' ' 3' ' ' ILE . 68.7 m -122.96 68.82 35.87 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.68 0.276 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.666 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.0 Cg_endo -64.11 144.7 87.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.421 2.081 . . . . 0.0 112.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.544 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.22 142.39 48.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.765 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.642 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.14 140.49 37.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -138.38 134.18 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.429 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.22 11.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.546 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -141.94 137.0 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.664 0.268 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.596 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.46 48.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.865 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.78 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.97 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.656 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.499 ' HB2' HD13 ' B' ' 3' ' ' ILE . 67.6 m -122.69 69.92 35.86 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.635 0.255 . . . . 0.0 110.835 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.666 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.0 Cg_endo -64.9 145.11 85.15 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.476 2.117 . . . . 0.0 112.14 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.586 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.91 141.4 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.438 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.856 0.36 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.6 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.5 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mt -138.37 135.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.446 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.53 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.95 136.12 30.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.667 0.27 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.587 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -130.98 136.18 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.681 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.06 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' C' ' 3' ' ' ILE . 68.3 m -123.07 69.65 39.14 Favored Pre-proline 0 CA--C 1.528 0.097 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 31.7 Cg_endo -64.95 145.34 85.39 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.495 2.13 . . . . 0.0 112.108 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.539 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.8 m-85 -135.07 141.7 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.574 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.713 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.59 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.42 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.52 135.17 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.43 119.31 11.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.606 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 135.81 29.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.571 0.224 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.02 136.08 48.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.783 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.71 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 121.12 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.844 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' D' ' 3' ' ' ILE . 67.3 m -123.09 69.36 38.52 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.624 0.25 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.2 Cg_endo -64.23 145.34 88.65 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.578 2.185 . . . . 0.0 112.256 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.535 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.9 m-85 -135.45 140.82 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 5.2 t . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.713 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.593 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.43 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.85 135.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.338 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.47 119.48 11.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.552 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 136.23 29.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.22 136.05 47.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.79 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 121.03 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.698 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' E' ' 3' ' ' ILE . 69.1 m -123.08 69.55 38.92 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 32.4 Cg_endo -64.76 145.31 86.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.189 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.9 m-85 -135.34 140.71 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.6 t . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.644 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.51 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.341 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -139.54 135.69 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.098 0.475 . . . . 0.0 111.451 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.75 119.29 11.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.711 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 135.94 29.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.655 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.1 135.7 47.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.72 120.93 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.669 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' F' ' 3' ' ' ILE . 67.8 m -123.17 69.32 39.3 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.663 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 29.6 Cg_endo -64.3 145.38 88.41 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.486 2.124 . . . . 0.0 112.201 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.4 m-85 -135.74 141.07 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.644 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.537 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.61 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.527 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.91 135.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.084 0.469 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.6 119.07 11.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.591 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 135.61 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 111.298 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.69 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.28 136.05 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.628 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 120.83 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.469 ' HB2' HD13 ' G' ' 3' ' ' ILE . 68.2 m -122.94 69.64 37.72 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 120.712 0.291 . . . . 0.0 110.732 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 31.0 Cg_endo -64.43 145.55 88.09 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.534 2.156 . . . . 0.0 112.204 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.4 m-85 -136.1 141.11 44.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.753 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.967 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 2' ' ' THR . . . . . 0.502 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.66 37.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.301 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.57 135.78 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.35 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.41 119.33 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.19 134.33 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.387 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.646 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -129.71 136.21 49.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.667 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.658 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.25 14.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.466 ' HB2' HD13 ' H' ' 3' ' ' ILE . 69.4 m -123.54 71.46 48.14 Favored Pre-proline 0 N--CA 1.456 -0.173 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.8 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.637 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.9 Cg_endo -66.43 145.05 75.88 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.549 2.166 . . . . 0.0 112.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.6 m-85 -136.74 140.98 43.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.11 37.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.231 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -138.83 134.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.03 119.07 11.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 135.6 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -129.25 136.38 50.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.398 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.18 121.46 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.8 70.52 38.48 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.999 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -65.92 142.83 70.55 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.533 2.155 . . . . 0.0 111.972 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' I' ' 2' ' ' THR . 8.8 m-85 -135.18 141.25 45.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.594 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 35.6 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.765 0.317 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' J' ' 10' ' ' TYR . 38.5 mt -138.02 135.32 45.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.32 118.86 11.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.805 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.54 137.15 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.33 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -131.27 136.42 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.834 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.2 121.16 14.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.4 70.56 34.35 Favored Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.86 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.627 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.5 Cg_endo -64.51 145.24 87.21 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.244 1.962 . . . . 0.0 111.812 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.603 ' N ' HG21 ' J' ' 2' ' ' THR . 7.8 m-85 -136.67 138.49 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.843 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 32.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.565 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.732 0.301 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.1 37.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.29 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' K' ' 10' ' ' TYR . 44.4 mt -137.78 134.95 45.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.33 118.68 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.72 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.53 137.01 29.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.652 0.263 . . . . 0.0 111.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -131.32 136.48 48.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.691 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.839 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.16 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.56 70.21 35.23 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.627 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 33.3 Cg_endo -64.92 145.11 85.02 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.294 1.996 . . . . 0.0 111.949 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 8.0 m-85 -136.05 138.36 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 33.8 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.546 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.24 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.299 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' L' ' 10' ' ' TYR . 44.8 mt -137.95 134.73 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.984 0.421 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.09 118.45 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.66 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.6 136.8 29.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.766 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.47 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.21 70.06 41.54 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 32.4 Cg_endo -64.75 144.31 83.32 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.347 2.031 . . . . 0.0 111.875 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 7.5 m-85 -134.62 138.06 44.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.937 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.696 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 32.2 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.539 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.741 0.305 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.17 37.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' M' ' 10' ' ' TYR . 48.6 mt -137.83 134.76 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.575 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.26 118.72 11.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.83 136.47 28.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.659 0.266 . . . . 0.0 111.391 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' F' ' 6' ' ' LEU . 0.5 OUTLIER -131.09 136.48 48.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.803 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.816 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.4 14.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.98 69.78 38.53 Favored Pre-proline 0 CA--C 1.529 0.146 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.016 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.596 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.3 Cg_endo -64.79 144.79 84.71 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.381 2.054 . . . . 0.0 111.806 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.585 ' H ' HG21 ' M' ' 2' ' ' THR . 7.8 m-85 -135.35 136.88 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.696 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 31.9 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.543 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.22 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.252 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.7 mt -137.69 134.89 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.46 118.56 11.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.762 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.83 136.78 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.371 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' E' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.85 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.37 121.41 14.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.771 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.71 69.43 34.91 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.974 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 34.7 Cg_endo -64.55 144.94 86.37 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.291 1.994 . . . . 0.0 111.7 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -135.42 136.86 41.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.637 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 27.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.899 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.744 0.307 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.18 37.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.537 HD11 ' CE1' ' O' ' 10' ' ' TYR . 46.2 mt -137.49 134.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.24 118.31 11.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.73 136.98 29.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' H' ' 6' ' ' LEU . 0.5 OUTLIER -131.35 136.42 48.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.44 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.739 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.22 69.73 40.8 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.4 Cg_endo -65.18 144.82 82.7 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.306 2.004 . . . . 0.0 111.678 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.511 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.49 137.64 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.159 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.637 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 22.9 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.488 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.848 0.356 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.2 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' P' ' 10' ' ' TYR . 51.8 mt -136.85 133.98 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 111.216 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.08 118.14 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.838 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.491 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.96 137.18 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.524 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.426 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.63 136.06 47.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.42 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.64 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 68.96 41.79 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 34.8 Cg_endo -64.27 142.31 79.09 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.401 2.067 . . . . 0.0 111.569 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -131.6 135.71 47.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.785 0.326 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 22.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.841 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.13 140.67 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.43 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -139.13 134.62 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.93 119.02 11.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.729 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 5' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.85 137.52 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.221 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.51 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.55 136.2 47.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.954 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.06 13.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.93 69.43 37.09 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-O 120.642 0.258 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.9 Cg_endo -65.1 144.67 82.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.407 2.071 . . . . 0.0 112.147 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.9 m-85 -133.28 141.54 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 23.2 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.838 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.512 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.771 0.32 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.603 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.38 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -139.06 135.25 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.54 119.09 11.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.585 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.86 137.56 31.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.646 0.26 . . . . 0.0 111.202 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.595 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.41 136.71 48.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.04 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.14 69.67 39.86 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.596 0.236 . . . . 0.0 110.953 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.2 Cg_endo -65.46 145.12 81.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.435 2.09 . . . . 0.0 112.042 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.565 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 8.0 m-85 -134.11 141.73 47.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 24.3 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.796 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.512 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.44 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.207 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 mt -139.0 135.83 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.5 12.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.674 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.04 137.15 30.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.634 0.254 . . . . 0.0 111.156 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.39 136.36 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.812 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 121.03 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.18 69.42 39.62 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-O 120.664 0.269 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 33.6 Cg_endo -64.9 145.12 85.13 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.522 2.148 . . . . 0.0 112.035 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.546 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.0 m-85 -134.63 140.9 46.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.013 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.76 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 22.7 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.789 0.328 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.55 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 48.1 mt -139.3 135.79 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 111.363 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.44 119.25 11.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.582 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.7 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.627 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.26 136.1 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.804 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.6 120.92 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.44 69.76 43.12 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-O 120.701 0.286 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.0 Cg_endo -65.64 145.21 81.05 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.434 2.089 . . . . 0.0 112.092 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.486 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.1 m-85 -134.13 141.53 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.724 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 29.7 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.626 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.585 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.72 140.54 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.341 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mt -139.89 135.68 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.055 0.455 . . . . 0.0 111.303 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.55 119.41 11.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.691 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.03 137.34 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.583 0.23 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.638 HD23 HD21 ' E' ' 7' ' ' LEU . 0.4 OUTLIER -131.52 136.14 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.865 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.98 13.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.664 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.7 69.28 44.59 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.934 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.0 Cg_endo -64.94 145.38 85.52 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.549 2.166 . . . . 0.0 112.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 8.1 m-85 -134.84 140.15 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.724 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 30.3 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.795 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.631 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.695 0.283 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.31 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mt -139.9 135.57 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.053 0.454 . . . . 0.0 111.508 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.55 119.32 11.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.706 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.82 137.37 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 0.0 111.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.683 HD23 HD21 ' F' ' 7' ' ' LEU . 0.4 OUTLIER -131.58 136.26 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.87 120.79 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.427 ' HB2' HD13 ' F' ' 3' ' ' ILE . 0.2 OUTLIER -123.13 68.82 37.62 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.857 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.0 Cg_endo -64.83 145.45 86.14 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.52 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.1 m-85 -135.38 140.58 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.715 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 33.6 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.631 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.511 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.72 37.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.573 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.1 135.31 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.579 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.742 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.0 30.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.7 0.285 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' G' ' 7' ' ' LEU . 0.4 OUTLIER -131.25 136.25 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 120.69 13.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.413 ' HB2' HD13 ' G' ' 3' ' ' ILE . 0.2 OUTLIER -123.06 69.07 37.51 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-O 120.672 0.272 . . . . 0.0 110.743 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.87 145.31 85.67 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.45 2.1 . . . . 0.0 112.207 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.537 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.8 m-85 -135.16 140.99 45.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 34.1 t . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.79 37.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.26 136.3 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.283 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.33 119.4 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.13 135.85 29.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.627 0.251 . . . . 0.0 111.287 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.676 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -129.7 136.29 49.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.88 121.14 14.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.401 ' HB2' HD13 ' H' ' 3' ' ' ILE . 0.2 OUTLIER -124.19 71.55 54.66 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-O 120.839 0.352 . . . . 0.0 110.683 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.641 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.3 Cg_endo -67.31 144.39 67.96 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.439 2.092 . . . . 0.0 112.274 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.515 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.1 m-85 -134.95 140.44 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 36.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.66 140.2 38.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.01 135.64 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.01 118.92 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.33 138.45 31.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER -131.2 136.5 48.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.985 0.422 . . . . 0.0 110.595 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.811 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.01 121.45 16.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.0 70.65 67.88 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.79 0.329 . . . . 0.0 111.406 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.23 140.96 60.89 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 111.361 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.435 ' N ' HG21 ' I' ' 2' ' ' THR . 6.4 m-85 -131.6 151.65 51.44 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.873 0.368 . . . . 0.0 111.647 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.513 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.735 0.302 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.33 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.551 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' J' ' 10' ' ' TYR . 53.1 mt -138.45 136.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.91 118.63 11.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.761 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.56 138.15 30.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.435 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.21 136.64 48.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.786 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.822 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.14 14.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.559 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -125.88 70.38 66.56 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.564 0.221 . . . . 0.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.18 144.59 81.85 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.247 1.965 . . . . 0.0 111.308 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.453 ' H ' HG21 ' J' ' 2' ' ' THR . 5.8 m-85 -133.99 149.58 51.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.882 0.373 . . . . 0.0 111.569 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.285 179.468 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.486 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.4 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.508 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' K' ' 10' ' ' TYR . 50.8 mt -138.23 136.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.0 118.53 11.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.899 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.424 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.5 138.23 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.62 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.875 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.13 121.4 14.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.33 69.68 68.69 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-O 120.609 0.243 . . . . 0.0 111.369 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HB3' ' HG2' ' D' ' 9' ' ' PRO . 35.7 Cg_endo -65.04 143.56 79.08 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.302 2.002 . . . . 0.0 111.286 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.664 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.177 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.486 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.27 37.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' L' ' 10' ' ' TYR . 53.4 mt -138.15 135.87 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.0 118.55 11.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.452 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.64 137.99 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.73 136.74 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.12 121.42 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.531 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.11 69.51 66.8 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.664 0.268 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -65.5 142.86 73.47 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.399 2.066 . . . . 0.0 111.258 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.99 149.37 52.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.654 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.097 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.502 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.742 0.306 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.28 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' M' ' 10' ' ' TYR . 52.3 mt -137.92 135.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -140.95 118.62 11.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.777 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.61 137.87 30.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.227 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.44 14.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.37 69.57 68.85 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.441 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.1 Cg_endo -65.73 143.67 75.01 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.228 1.952 . . . . 0.0 111.219 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.404 ' H ' HG21 ' M' ' 2' ' ' THR . 5.7 m-85 -131.38 147.96 52.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 111.553 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 5.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.524 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.332 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.34 37.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.408 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' N' ' 10' ' ' TYR . 54.6 mt -138.13 135.81 44.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.144 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.1 118.52 11.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.09 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.53 136.48 47.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.917 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.4 14.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.38 69.5 68.76 Favored Pre-proline 0 C--N 1.332 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.506 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 38.4 Cg_endo -66.0 143.4 72.22 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.296 1.997 . . . . 0.0 111.17 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.84 148.01 52.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.554 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 5.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.058 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.524 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.06 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.0 mt -137.82 135.52 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.12 118.45 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.59 138.17 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 136.44 47.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.917 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.747 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.34 121.28 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.583 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.23 69.12 67.09 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.597 0.237 . . . . 0.0 111.225 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.5 Cg_endo -66.13 141.72 64.67 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.235 1.957 . . . . 0.0 111.128 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.48 149.47 50.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 111.591 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 5.0 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.394 -0.813 . . . . 0.0 111.052 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.471 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.716 0.293 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.08 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.342 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' P' ' 10' ' ' TYR . 52.3 mt -137.67 134.98 46.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.38 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.534 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.74 138.22 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.14 47.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 121.27 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.23 67.96 64.64 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.6 Cg_endo -65.7 139.71 58.96 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.273 1.982 . . . . 0.0 111.18 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -125.53 150.75 47.15 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 111.891 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 4.5 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.197 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.75 37.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -138.74 135.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.76 119.14 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.17 138.58 31.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.236 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.49 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.02 47.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.01 121.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.138 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.15 69.63 67.33 Favored Pre-proline 0 C--O 1.233 0.193 0 CA-C-O 120.666 0.27 . . . . 0.0 111.257 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 35.7 Cg_endo -65.29 143.36 76.72 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.291 1.994 . . . . 0.0 111.754 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.446 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 6.6 m-85 -128.9 152.02 49.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.498 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 5.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.424 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.73 0.3 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.453 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.49 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -138.63 136.83 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.271 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.17 119.08 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.23 138.5 31.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.58 0.229 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.587 HD23 HD21 ' B' ' 7' ' ' LEU . 0.7 OUTLIER -131.57 136.51 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.963 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.19 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.265 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -126.96 70.36 74.18 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.695 0.284 . . . . 0.0 111.327 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.4 Cg_endo -66.46 144.06 71.88 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.304 2.002 . . . . 0.0 111.679 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD11 ' B' ' 3' ' ' ILE . 6.3 m-85 -129.74 150.72 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.501 ' HA ' ' HB2' ' K' ' 11' ' ' SER . 6.2 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.544 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.673 0.273 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.59 37.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 111.436 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt -139.37 137.03 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.455 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.24 119.14 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.642 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.25 138.22 31.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.629 0.252 . . . . 0.0 111.051 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.62 136.6 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.788 0.328 . . . . 0.0 111.051 179.725 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.45 121.13 14.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 69.45 68.73 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.2 Cg_endo -65.53 144.57 79.61 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.412 2.075 . . . . 0.0 111.749 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' C' ' 3' ' ' ILE . 6.2 m-85 -131.29 149.5 52.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.331 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 8.8 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.853 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.664 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.757 0.313 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.88 140.46 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.493 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -139.6 137.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.287 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.47 118.93 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.24 137.8 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.685 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.7 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.06 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.278 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.6 69.54 70.48 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-O 120.642 0.258 . . . . 0.0 111.186 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.74 144.9 79.55 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.372 2.048 . . . . 0.0 111.821 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' D' ' 3' ' ' ILE . 6.5 m-85 -131.64 149.99 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 11.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.027 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.664 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.841 0.353 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.54 37.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.48 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 56.7 mt -140.35 137.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 111.337 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.46 119.1 11.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.759 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 138.03 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.59 0.234 . . . . 0.0 111.135 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.675 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.32 136.39 48.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.55 121.04 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.338 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -126.32 68.89 67.4 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.588 0.233 . . . . 0.0 111.286 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 34.5 Cg_endo -64.92 145.21 85.22 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.323 2.016 . . . . 0.0 111.882 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.465 ' CE1' HD11 ' E' ' 3' ' ' ILE . 6.4 m-85 -132.62 148.83 52.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.658 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.704 0.288 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.1 140.54 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 111.612 -179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 58.9 mt -141.14 136.46 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.5 119.41 11.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.701 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.26 31.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.638 0.256 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.717 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.42 136.39 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.982 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.9 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.355 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.17 69.19 66.75 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.59 0.234 . . . . 0.0 111.368 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.538 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 35.4 Cg_endo -65.51 145.04 81.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.306 2.004 . . . . 0.0 111.664 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' F' ' 3' ' ' ILE . 6.5 m-85 -132.74 149.07 52.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 111.157 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 11.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.466 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -137.26 140.88 41.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.674 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -142.64 135.53 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.355 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.648 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.12 138.15 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.536 0.208 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.747 HD23 HD21 ' G' ' 7' ' ' LEU . 0.7 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.066 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.68 120.94 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.35 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.26 69.25 67.55 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 111.188 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 34.7 Cg_endo -65.47 145.12 81.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.384 2.056 . . . . 0.0 111.813 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.9 m-85 -132.8 148.45 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' P' ' 11' ' ' SER . 14.0 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -0.802 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.62 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.486 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 53.7 mt -139.86 137.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.91 119.17 12.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.643 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.2 31.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.594 0.235 . . . . 0.0 111.286 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.712 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.71 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.964 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.98 121.12 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.504 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.89 70.91 74.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.254 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.8 Cg_endo -67.34 144.02 66.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.51 2.14 . . . . 0.0 111.798 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' H' ' 3' ' ' ILE . 7.2 m-85 -132.53 147.15 52.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 17.1 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.03 140.4 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.309 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' I' ' 8' ' ' SER . 49.6 mt -139.77 135.59 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.81 119.01 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.45 31.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.45 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.677 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.78 121.41 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.694 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -127.07 70.61 75.04 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -65.82 142.58 70.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.485 2.123 . . . . 0.0 111.428 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.43 151.57 51.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.882 0.372 . . . . 0.0 111.628 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.783 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.497 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.43 37.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.554 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' J' ' 8' ' ' SER . 48.6 mt -138.8 136.41 43.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.297 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.19 118.79 11.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.51 138.21 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.179 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.4 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.35 136.83 48.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.799 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.842 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.91 121.19 14.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.0 m -126.98 70.24 74.19 Favored Pre-proline 0 N--CA 1.456 -0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.381 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.504 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -64.67 144.7 85.04 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.363 2.042 . . . . 0.0 111.26 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.429 ' H ' HG21 ' J' ' 2' ' ' THR . 5.3 m-85 -134.26 149.77 50.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 111.491 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.385 -0.816 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.522 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.27 37.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.437 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' K' ' 8' ' ' SER . 48.1 mt -138.3 135.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.58 11.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.683 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.21 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.46 136.78 48.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.844 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.842 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.34 14.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.533 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -127.25 70.35 75.37 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-O 120.658 0.266 . . . . 0.0 111.36 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.504 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.7 Cg_endo -65.55 143.12 74.13 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.267 1.978 . . . . 0.0 111.284 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.875 0.369 . . . . 0.0 111.553 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.165 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.522 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.648 0.261 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.52 140.33 37.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.307 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' L' ' 10' ' ' TYR . 48.2 mt -138.54 135.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.14 118.62 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.57 138.23 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.36 136.82 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.46 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.653 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -127.38 69.63 75.0 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.673 0.273 . . . . 0.0 111.522 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.33 142.94 74.94 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.324 2.016 . . . . 0.0 111.311 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -131.4 148.94 52.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.557 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.208 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.473 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.2 37.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.47 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' M' ' 10' ' ' TYR . 49.0 mt -138.37 135.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.4 118.62 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.684 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.64 138.33 30.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' F' ' 6' ' ' LEU . 0.7 OUTLIER -131.44 136.77 48.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.3 121.36 14.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -127.37 69.7 75.02 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-O 120.61 0.243 . . . . 0.0 111.358 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.56 142.77 72.7 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.341 2.028 . . . . 0.0 111.293 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.89 148.75 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.742 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.047 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.4 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' N' ' 10' ' ' TYR . 55.4 mt -138.76 135.56 43.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.273 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.24 118.58 11.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.772 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.507 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.37 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' HG ' ' E' ' 6' ' ' LEU . 0.7 OUTLIER -131.4 136.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.978 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.767 HD21 HD23 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 121.17 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.01 69.46 73.42 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.583 0.23 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.0 Cg_endo -65.92 141.61 65.49 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.359 2.039 . . . . 0.0 111.202 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.18 150.03 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.446 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.092 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.458 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.719 0.295 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.31 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.44 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 56.8 mt -138.69 135.24 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.14 118.44 11.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.634 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.52 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.58 138.59 30.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.93 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.875 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.793 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.27 121.18 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -127.61 69.49 75.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.664 0.269 . . . . 0.0 111.227 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.0 Cg_endo -66.31 142.18 65.37 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.278 1.985 . . . . 0.0 111.119 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -129.18 149.36 51.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.534 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.458 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.12 37.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' P' ' 8' ' ' SER . 52.3 mt -138.03 134.76 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.065 0.46 . . . . 0.0 111.229 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.87 118.32 11.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.906 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.572 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.89 138.71 30.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.47 136.43 47.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.25 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.375 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -127.35 68.31 72.93 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.525 0.202 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.7 Cg_endo -65.4 139.94 61.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.36 2.04 . . . . 0.0 111.141 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.28 151.13 47.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.823 0.344 . . . . 0.0 111.769 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.672 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.072 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.814 0.34 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.59 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.409 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -138.57 136.1 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.12 0.486 . . . . 0.0 111.494 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 118.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.762 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.28 138.62 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.53 136.2 47.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.172 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.95 121.14 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.195 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.479 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.5 m -127.48 68.91 74.5 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-O 120.584 0.23 . . . . 0.0 111.212 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.8 Cg_endo -64.58 143.04 80.19 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.336 2.024 . . . . 0.0 111.834 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 5.8 m-85 -128.68 152.27 48.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 111.339 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.654 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.01 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.429 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.336 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -139.11 136.66 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.378 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.27 119.11 11.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.616 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.08 138.65 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.606 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.63 136.74 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.13 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 121.19 14.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.374 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.475 ' HB2' HD13 ' B' ' 3' ' ' ILE . 74.8 m -127.67 69.4 75.84 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.637 0.256 . . . . 0.0 111.245 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.548 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.3 Cg_endo -65.23 144.03 79.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.293 1.996 . . . . 0.0 111.782 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.5 150.87 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 111.283 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 140.65 36.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.407 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.5 mt -139.47 137.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.351 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.48 119.07 11.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.6 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.602 0.239 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.625 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.58 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.61 120.97 13.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' C' ' 3' ' ' ILE . 70.8 m -127.83 69.48 76.55 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.9 Cg_endo -65.25 144.73 81.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.355 2.037 . . . . 0.0 111.751 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' C' ' 3' ' ' ILE . 5.8 m-85 -131.55 150.04 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.237 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.036 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.767 0.317 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 140.65 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.361 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.08 136.83 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.399 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.41 119.15 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -142.16 138.76 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.595 0.236 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.61 136.71 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.53 121.09 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.439 ' HB2' HD13 ' D' ' 3' ' ' ILE . 75.6 m -127.87 69.19 76.39 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.672 0.272 . . . . 0.0 111.31 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 36.0 Cg_endo -65.15 145.16 83.83 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.387 2.058 . . . . 0.0 111.809 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' D' ' 3' ' ' ILE . 5.9 m-85 -132.33 149.36 52.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.521 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.47 37.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.533 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -140.81 136.46 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.429 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.669 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.06 138.77 31.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.619 0.247 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.65 48.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.978 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.67 120.88 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.464 ' HB2' HD13 ' E' ' 3' ' ' ILE . 72.1 m -127.65 69.64 76.01 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.628 0.251 . . . . 0.0 111.298 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 35.0 Cg_endo -65.11 145.12 83.99 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.328 2.019 . . . . 0.0 111.797 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.7 m-85 -132.43 149.73 52.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.56 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.44 140.62 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.415 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.61 136.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.4 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.52 119.27 11.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.712 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.27 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.589 0.233 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.767 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.49 136.54 48.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 111.009 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 120.83 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.304 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.472 ' HB2' HD13 ' F' ' 3' ' ' ILE . 72.5 m -127.9 69.69 77.01 Favored Pre-proline 0 C--O 1.233 0.19 0 CA-C-O 120.605 0.24 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.518 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.5 Cg_endo -65.46 145.19 82.08 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.369 2.046 . . . . 0.0 111.69 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.7 m-85 -132.7 148.99 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.769 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.56 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.505 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.32 140.94 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -142.59 135.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.155 0.503 . . . . 0.0 111.447 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.48 119.4 11.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.52 31.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.643 0.259 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.793 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.49 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.94 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.337 179.759 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.455 ' HB2' HD13 ' G' ' 3' ' ' ILE . 73.0 m -127.87 69.21 76.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.621 0.248 . . . . 0.0 111.277 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.8 Cg_endo -65.2 145.12 83.46 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.309 2.006 . . . . 0.0 111.727 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.2 m-85 -133.11 148.68 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.808 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.542 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.39 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.309 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 52.5 mt -139.51 137.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.211 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.09 119.15 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.642 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.72 31.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.558 0.218 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.753 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.9 48.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.74 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.03 121.28 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.465 ' HB2' HD13 ' H' ' 3' ' ' ILE . 73.7 m -128.34 71.23 79.82 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.705 0.288 . . . . 0.0 111.347 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -67.53 144.29 66.26 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.415 2.077 . . . . 0.0 111.813 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -133.17 147.82 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.789 0.328 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.3 38.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.351 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' I' ' 8' ' ' SER . 43.3 mt -138.69 135.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.86 118.9 11.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.937 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.35 137.19 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.42 136.48 49.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.08 121.61 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.76 -179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.72 70.89 66.32 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.301 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HB3' ' HG2' ' B' ' 9' ' ' PRO . 39.5 Cg_endo -66.43 142.53 65.97 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.538 2.158 . . . . 0.0 111.447 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.452 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.67 151.03 51.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.752 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' B' ' 11' ' ' SER . 22.1 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.576 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.299 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.513 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' J' ' 8' ' ' SER . 45.8 mt -138.33 136.18 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -140.9 118.61 11.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.819 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.433 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.6 137.7 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.48 48.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.675 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.868 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.08 121.44 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -125.61 70.62 65.09 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-O 120.61 0.243 . . . . 0.0 111.372 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 36.4 Cg_endo -65.23 143.98 79.35 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.296 1.997 . . . . 0.0 111.264 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.59 149.6 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.666 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 11' ' ' SER . 17.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.286 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.715 0.293 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.26 37.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.503 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.684 HD13 ' HB2' ' K' ' 8' ' ' SER . 42.3 mt -137.57 136.06 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.09 118.55 11.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.778 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.65 137.75 30.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.166 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.2 136.41 48.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.803 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.39 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.61 70.38 64.67 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.573 0.225 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.6 Cg_endo -65.11 144.34 81.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.152 1.901 . . . . 0.0 111.336 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.421 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -133.34 147.96 51.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 111.618 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' D' ' 11' ' ' SER . 20.3 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.465 -0.779 . . . . 0.0 111.211 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.42 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.431 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' L' ' 8' ' ' SER . 47.3 mt -137.84 136.34 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.13 118.4 11.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.882 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.89 137.15 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.282 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.51 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.798 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.44 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.52 69.37 62.15 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.427 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.0 Cg_endo -64.85 144.29 82.74 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.302 2.001 . . . . 0.0 111.171 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -132.84 148.58 52.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 111.542 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' C' ' 11' ' ' SER . 18.3 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.149 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.534 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.715 0.293 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.26 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.535 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.7 mt -137.74 135.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.23 118.36 11.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.459 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.1 121.32 14.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -125.79 69.14 63.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.597 0.237 . . . . 0.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.2 Cg_endo -65.02 143.41 78.69 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.339 2.026 . . . . 0.0 111.132 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.25 148.88 52.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.645 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 19.9 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.033 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.511 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.629 0.252 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.32 37.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' N' ' 8' ' ' SER . 52.6 mt -137.15 135.75 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.18 118.24 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.802 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -143.03 137.88 29.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.2 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.8 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.789 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.19 121.33 14.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.06 69.08 65.72 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-N 116.735 -0.212 . . . . 0.0 111.325 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.9 Cg_endo -65.64 143.51 75.02 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.361 2.04 . . . . 0.0 111.169 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.98 148.51 52.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.558 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 18.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.093 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.511 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 140.19 37.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.385 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.687 HD13 ' HB2' ' O' ' 8' ' ' SER . 46.8 mt -137.51 135.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.18 118.49 11.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.978 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.477 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.81 138.08 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.176 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.69 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.53 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.32 68.65 66.89 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 38.2 Cg_endo -65.54 143.11 74.17 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.368 2.045 . . . . 0.0 111.067 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.412 ' H ' HG21 ' O' ' 2' ' ' THR . 5.1 m-85 -130.08 147.96 51.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 111.74 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 21.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.093 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.489 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.0 37.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.6 mt -136.99 134.86 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.71 118.23 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.971 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.54 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -143.0 138.0 29.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.336 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.57 136.26 47.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.25 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.13 68.4 64.86 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.532 0.206 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 40.6 Cg_endo -65.68 141.24 65.4 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.284 1.989 . . . . 0.0 111.133 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.48 148.12 50.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.383 . . . . 0.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.512 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 13.2 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.55 140.63 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.43 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -137.9 135.9 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.434 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.8 118.86 11.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 5' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.23 138.15 31.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.65 136.15 47.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 121.14 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.218 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 3' ' ' ILE . 1.3 m -125.49 69.25 61.7 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 120.61 0.243 . . . . 0.0 111.193 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.7 Cg_endo -64.66 143.72 81.9 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 111.81 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.9 m-85 -129.68 150.88 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 17.9 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.026 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.554 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 140.69 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mt -138.59 136.82 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.297 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.41 119.06 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.609 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.21 138.25 31.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.593 0.235 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.611 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.6 136.57 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.97 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.701 ' HB2' HD13 ' B' ' 3' ' ' ILE . 1.4 m -125.95 70.24 66.84 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 36.6 Cg_endo -65.99 144.25 75.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.338 2.026 . . . . 0.0 111.659 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.64 149.81 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.39 . . . . 0.0 111.35 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.557 ' HB2' ' HA ' ' I' ' 11' ' ' SER . 24.0 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.421 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.68 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.439 -179.65 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 mt -138.94 137.22 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.3 119.11 11.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.663 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.24 137.77 30.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.554 0.216 . . . . 0.0 111.003 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.613 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.47 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 111.032 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.66 120.88 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.684 ' HB2' HD13 ' C' ' 3' ' ' ILE . 1.2 m -125.65 69.57 63.52 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-O 120.67 0.271 . . . . 0.0 111.233 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.506 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.4 Cg_endo -65.38 145.04 82.23 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.271 1.98 . . . . 0.0 111.73 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.8 m-85 -131.87 149.48 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.307 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 35.1 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.96 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.565 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.792 0.33 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.65 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.477 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -139.76 137.0 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.394 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.32 119.19 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.659 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.26 137.63 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.594 0.235 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.652 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.51 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.968 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 121.09 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.338 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.695 ' HB2' HD13 ' D' ' 3' ' ' ILE . 1.2 m -125.99 70.03 66.76 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.656 0.265 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -65.8 144.71 78.47 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.405 2.07 . . . . 0.0 111.756 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -131.93 149.13 52.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.264 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 32.0 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.02 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.59 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.22 140.57 37.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.528 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.35 137.12 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.443 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.45 119.24 11.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.617 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.31 137.32 30.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.553 0.216 . . . . 0.0 111.091 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.42 48.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.91 0.385 . . . . 0.0 110.914 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 121.02 14.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.387 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.692 ' HB2' HD13 ' E' ' 3' ' ' ILE . 1.3 m -126.05 70.18 67.45 Favored Pre-proline 0 C--O 1.232 0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 111.21 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 36.8 Cg_endo -66.0 145.18 78.87 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.387 2.058 . . . . 0.0 111.749 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.9 m-85 -132.58 149.01 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' L' ' 11' ' ' SER . 38.1 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.59 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.291 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.73 38.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.648 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -140.98 136.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.313 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.46 119.31 11.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.34 30.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.619 0.247 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.719 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.27 47.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 120.87 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.703 ' HB2' HD13 ' F' ' 3' ' ' ILE . 1.3 m -125.81 69.81 65.12 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.593 0.235 . . . . 0.0 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.9 Cg_endo -65.53 145.22 81.74 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.413 2.076 . . . . 0.0 111.712 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.476 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.9 m-85 -133.29 148.26 51.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.159 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 36.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.457 -0.782 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.747 0.308 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.05 140.77 40.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.754 -179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -142.26 135.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.457 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.41 119.24 11.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.622 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.51 30.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.566 0.222 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.728 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 120.88 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.687 ' HB2' HD13 ' G' ' 3' ' ' ILE . 1.2 m -125.94 69.47 65.45 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 111.221 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.597 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 35.4 Cg_endo -65.59 145.35 81.76 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.404 2.069 . . . . 0.0 111.762 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.4 m-85 -133.68 147.95 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.099 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' N' ' 11' ' ' SER . 50.3 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.138 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.69 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 mt -139.09 137.4 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.99 119.22 12.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.792 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.61 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.543 0.211 . . . . 0.0 111.21 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.736 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.25 136.63 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 110.85 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.05 121.32 14.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.632 ' HB2' HD13 ' H' ' 3' ' ' ILE . 1.2 m -126.3 70.88 70.31 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.695 0.284 . . . . 0.0 111.197 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.597 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.9 Cg_endo -66.79 144.88 73.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.461 2.107 . . . . 0.0 111.793 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.403 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.7 m-85 -133.76 147.07 51.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.237 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 51.1 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.794 . . . . 0.0 111.079 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.6 140.28 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' I' ' 8' ' ' SER . 44.8 mt -139.35 135.31 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.21 138.7 31.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 1.0 OUTLIER -131.38 136.61 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.74 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.24 121.55 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.375 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -125.61 69.43 62.95 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.617 0.246 . . . . 0.0 111.395 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 36.6 Cg_endo -65.07 141.28 69.31 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.614 2.21 . . . . 0.0 111.507 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.45 152.53 51.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.901 0.382 . . . . 0.0 111.531 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.651 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.486 -0.769 . . . . 0.0 111.455 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.464 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.699 0.285 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 140.46 38.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.46 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' J' ' 8' ' ' SER . 47.9 mt -138.59 135.88 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.518 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.779 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.416 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.43 138.2 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.227 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.9 OUTLIER -131.41 136.51 48.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.721 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.84 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.41 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -125.4 69.68 61.84 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.9 Cg_endo -64.55 142.91 79.87 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.214 1.942 . . . . 0.0 111.413 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.452 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.73 150.58 50.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.954 0.407 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.651 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.382 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.54 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.689 0.28 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.39 37.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.388 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' K' ' 8' ' ' SER . 47.7 mt -138.36 135.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.14 118.69 11.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.854 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.458 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.6 137.78 30.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.34 136.45 48.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.704 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.84 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.51 14.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -125.86 68.54 63.06 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-O 120.619 0.247 . . . . 0.0 111.382 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 31.7 Cg_endo -63.75 143.37 86.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.329 2.019 . . . . 0.0 111.36 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.456 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.29 150.02 50.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 111.504 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.369 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.54 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.724 0.297 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.42 37.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.343 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' L' ' 8' ' ' SER . 48.0 mt -138.3 135.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.15 118.74 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.864 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.56 138.33 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.271 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.452 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.71 136.7 47.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.847 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.43 14.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.2 m -126.02 69.3 65.78 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.567 0.222 . . . . 0.0 111.277 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.51 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.5 Cg_endo -65.06 143.04 77.09 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.23 1.953 . . . . 0.0 111.318 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.435 ' H ' HG21 ' L' ' 2' ' ' THR . 5.0 m-85 -133.2 149.69 52.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.532 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.595 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.219 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.692 0.282 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 140.24 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.328 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.0 mt -137.53 135.54 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.18 118.52 11.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.813 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.81 138.17 30.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.262 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.452 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.63 136.42 47.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.51 14.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -126.14 68.82 65.81 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.514 0.197 . . . . 0.0 111.327 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.6 Cg_endo -64.92 143.46 79.5 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.325 2.017 . . . . 0.0 111.229 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.407 ' H ' HG21 ' M' ' 2' ' ' THR . 4.8 m-85 -133.46 150.12 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.861 0.362 . . . . 0.0 111.395 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.596 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.437 -0.792 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.686 0.279 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.19 37.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.356 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.534 HD13 ' HB2' ' N' ' 8' ' ' SER . 47.1 mt -137.92 135.42 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.2 118.55 11.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.69 138.1 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.49 136.52 47.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.36 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 47.8 m -125.84 68.63 63.07 Favored Pre-proline 0 C--O 1.233 0.191 0 CA-C-O 120.585 0.231 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.4 Cg_endo -65.2 142.16 72.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.301 2.001 . . . . 0.0 111.111 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.66 150.68 52.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 111.536 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.596 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.039 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.22 37.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.28 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' O' ' 8' ' ' SER . 50.0 mt -137.47 135.4 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.28 118.58 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.84 138.43 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.274 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.7 136.45 47.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.56 121.4 14.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -125.85 68.08 61.89 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.346 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.502 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 36.9 Cg_endo -64.92 141.72 72.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.331 2.02 . . . . 0.0 111.185 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.89 150.33 52.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 111.6 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.056 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.463 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.757 0.313 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.8 140.24 38.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.388 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' P' ' 8' ' ' SER . 47.4 mt -137.93 134.5 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.15 0.5 . . . . 0.0 111.197 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.4 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.84 138.3 30.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.28 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.66 136.04 47.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.05 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.46 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.586 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 40.2 m -125.75 67.25 59.2 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.518 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 36.9 Cg_endo -64.35 140.46 70.31 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.236 1.957 . . . . 0.0 111.264 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -128.45 151.84 48.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.804 0.335 . . . . 0.0 111.694 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.153 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.687 0.28 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.67 140.69 38.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.305 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.8 mt -138.74 135.39 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.519 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.89 118.81 11.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.93 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.188 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.487 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.72 136.09 47.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.17 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.277 179.559 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' A' ' 3' ' ' ILE . 49.0 m -125.88 68.51 63.1 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.8 Cg_endo -64.02 142.98 83.52 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.336 2.024 . . . . 0.0 111.823 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.464 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -130.6 152.87 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 111.446 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.411 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.452 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.51 37.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 45.3 mt -138.72 136.26 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.341 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.13 119.24 12.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.617 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.58 31.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.611 0.243 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.48 136.48 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.038 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.98 13.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' B' ' 3' ' ' ILE . 44.0 m -126.03 69.35 65.94 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-O 120.619 0.247 . . . . 0.0 111.174 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.6 Cg_endo -65.19 143.7 78.64 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.387 2.058 . . . . 0.0 111.717 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -131.9 151.75 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 111.285 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.518 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.456 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.54 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 mt -139.48 136.47 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.39 119.06 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.631 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.15 138.76 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.616 0.246 . . . . 0.0 110.925 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.603 HD23 HD21 ' C' ' 7' ' ' LEU . 0.8 OUTLIER -131.64 136.29 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.0 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.07 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.384 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' C' ' 3' ' ' ILE . 51.0 m -126.56 68.96 69.37 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.633 0.254 . . . . 0.0 111.184 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 32.8 Cg_endo -64.77 144.54 83.99 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.325 2.017 . . . . 0.0 111.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.7 m-85 -132.96 150.74 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.221 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.578 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.435 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.49 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.339 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.48 136.55 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.49 119.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.751 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.87 31.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.571 0.224 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.667 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.47 136.42 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.971 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.57 121.08 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.341 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.535 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.2 m -125.72 68.78 62.47 Favored Pre-proline 0 N--CA 1.456 -0.159 0 CA-C-O 120.667 0.27 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 31.7 Cg_endo -64.5 144.72 85.98 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.393 2.062 . . . . 0.0 111.696 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.6 m-85 -134.11 150.72 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.244 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.627 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.578 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.752 0.31 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.78 37.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.546 -179.477 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.58 136.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.37 119.25 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.66 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.13 31.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.58 0.229 . . . . 0.0 111.052 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.671 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.22 47.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.922 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.96 13.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' E' ' 3' ' ' ILE . 34.5 m -126.2 68.56 65.73 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 111.183 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 31.3 Cg_endo -64.33 144.95 87.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.314 2.01 . . . . 0.0 111.819 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.479 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.7 m-85 -134.19 150.56 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.203 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.627 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.649 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.2 140.56 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 -179.397 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -140.98 136.68 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.152 0.501 . . . . 0.0 111.502 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.58 119.12 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.648 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.86 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.556 0.217 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.74 HD23 HD21 ' F' ' 7' ' ' LEU . 0.8 OUTLIER -131.54 136.26 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.072 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.93 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.534 ' HB2' HD13 ' F' ' 3' ' ' ILE . 38.5 m -125.97 68.63 64.12 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.666 0.27 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 31.6 Cg_endo -64.23 145.18 88.42 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.364 2.043 . . . . 0.0 111.724 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.47 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.7 m-85 -134.6 149.89 50.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.26 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.649 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.754 0.312 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.518 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.89 140.75 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.65 -179.357 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.59 136.03 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.48 119.14 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.749 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 138.38 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.746 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.13 47.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.908 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 120.75 13.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.454 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' G' ' 3' ' ' ILE . 41.2 m -125.77 68.51 62.26 Favored Pre-proline 0 C--O 1.232 0.163 0 CA-C-O 120.651 0.263 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.587 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.28 145.23 88.25 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.333 2.022 . . . . 0.0 111.646 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.439 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 5.8 m-85 -135.48 149.61 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.093 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.063 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.508 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.65 38.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.364 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -139.89 137.23 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.16 119.42 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 138.85 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.611 0.243 . . . . 0.0 111.276 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.732 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.52 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.12 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.4 m -126.57 70.04 70.95 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.307 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.3 Cg_endo -66.6 143.22 67.63 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.408 2.072 . . . . 0.0 111.868 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -134.34 148.51 50.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.68 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.539 -0.743 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mt -138.39 135.32 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.06 12.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.24 137.74 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.236 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.5 136.44 48.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.852 0.358 . . . . 0.0 110.578 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.48 121.48 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.43 71.63 71.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.756 0.312 . . . . 0.0 111.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.3 Cg_endo -65.83 142.94 71.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.525 2.15 . . . . 0.0 111.5 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.65 151.48 51.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 111.618 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.539 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.44 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.36 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 111.515 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -138.16 135.25 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.08 118.9 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.32 138.29 31.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.267 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.22 136.5 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.734 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.82 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.5 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.09 70.62 68.49 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.627 0.251 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.6 Cg_endo -64.51 143.89 83.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.334 2.023 . . . . 0.0 111.349 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.86 149.52 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 111.621 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.756 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.388 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.46 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.69 135.13 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.66 11.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.864 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.4 138.37 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.261 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.5 48.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.39 121.33 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -126.32 69.68 68.63 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.597 0.237 . . . . 0.0 111.362 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.4 Cg_endo -64.1 144.37 87.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.419 2.079 . . . . 0.0 111.407 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.23 149.62 50.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 0.0 111.557 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.701 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.187 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.562 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.67 0.272 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.16 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.439 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -137.65 135.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.3 118.79 11.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.47 138.22 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.3 136.54 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 121.35 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.3 70.0 68.98 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.634 0.254 . . . . 0.0 111.329 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.529 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.71 143.26 80.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.338 2.026 . . . . 0.0 111.39 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.442 ' H ' HG21 ' L' ' 2' ' ' THR . 4.9 m-85 -132.71 148.46 52.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 0.0 111.787 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.673 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.198 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.751 0.31 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.42 37.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.453 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.428 HD11 ' CE1' ' M' ' 10' ' ' TYR . 51.8 mt -137.77 134.98 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.31 118.77 11.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.837 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.52 138.46 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.316 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.4 48.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.8 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.48 121.47 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -126.57 69.89 70.79 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.372 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.2 Cg_endo -64.75 143.23 79.74 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.328 2.019 . . . . 0.0 111.443 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.28 148.28 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.585 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.67 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.157 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.61 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.361 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.6 mt -137.98 135.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.24 118.68 11.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.451 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.54 138.04 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.288 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.56 136.36 47.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.818 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.56 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -126.16 69.37 66.97 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.474 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 35.9 Cg_endo -64.63 142.4 77.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 0.0 111.269 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -130.78 149.09 52.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.897 0.38 . . . . 0.0 111.564 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.674 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 111.198 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.663 0.268 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.31 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.411 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.3 mt -137.8 135.62 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.37 118.74 11.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.773 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.498 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.6 137.84 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.324 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.38 136.37 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.984 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.771 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.43 121.59 14.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.69 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -126.62 69.12 70.03 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.562 0.22 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.487 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.1 Cg_endo -64.86 142.72 77.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.367 2.045 . . . . 0.0 111.255 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.58 148.78 52.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.877 0.37 . . . . 0.0 111.658 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.674 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.022 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.405 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.37 37.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' P' ' 10' ' ' TYR . 54.3 mt -137.45 134.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.79 118.55 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.521 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.83 138.43 30.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.425 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 136.06 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.19 121.52 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.516 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -126.39 68.25 66.52 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 36.1 Cg_endo -63.99 140.74 74.09 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.341 2.027 . . . . 0.0 111.107 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -128.18 149.45 50.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.841 0.353 . . . . 0.0 111.764 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.093 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.482 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.64 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 mt -137.61 135.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.34 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.85 119.03 12.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.77 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.64 31.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.259 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -131.66 135.54 46.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.171 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.15 121.18 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.345 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -126.27 69.42 67.85 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.229 . . . . 0.0 111.329 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.3 Cg_endo -63.93 144.45 88.11 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.81 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.44 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -131.16 151.29 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.376 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.77 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.419 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.18 136.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.18 119.22 11.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.618 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -142.27 138.22 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.622 0.248 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.604 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.45 136.44 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.8 121.08 13.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.473 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.6 m -126.39 70.12 69.78 Favored Pre-proline 0 C--O 1.231 0.118 0 CA-C-O 120.721 0.296 . . . . 0.0 111.24 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.574 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 34.1 Cg_endo -64.82 145.05 85.41 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.407 2.071 . . . . 0.0 111.783 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.5 m-85 -132.71 150.04 52.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.721 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.53 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.749 0.309 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.58 140.76 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.396 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -138.57 136.34 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.331 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.31 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.692 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.35 138.03 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.545 0.212 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.642 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.43 136.47 48.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 121.01 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -126.18 70.05 68.21 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.617 0.246 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 35.2 Cg_endo -65.19 144.61 81.87 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.336 2.024 . . . . 0.0 111.765 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.6 m-85 -132.32 149.71 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.721 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.065 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.683 0.277 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.442 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.83 140.71 36.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -138.86 136.59 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.53 119.1 11.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.564 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.2 137.82 31.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.563 0.22 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.64 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.42 136.34 47.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.99 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.37 70.13 69.7 Favored Pre-proline 0 CA--C 1.528 0.123 0 CA-C-O 120.591 0.234 . . . . 0.0 111.202 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.518 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 34.3 Cg_endo -65.21 145.22 83.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.368 2.045 . . . . 0.0 111.62 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.463 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -133.28 149.01 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.706 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.033 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.576 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.814 0.34 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.71 140.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.57 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 53.1 mt -139.45 136.5 40.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.45 119.42 11.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.624 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.68 30.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.548 0.214 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.696 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.13 136.11 48.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.78 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.96 13.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.673 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -126.3 69.72 68.51 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.625 0.25 . . . . 0.0 111.181 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.79 145.12 85.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.325 2.017 . . . . 0.0 111.758 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.6 m-85 -133.74 148.73 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.055 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.71 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.377 -0.821 . . . . 0.0 110.987 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.576 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.57 140.85 37.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.686 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -140.85 136.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.457 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.55 119.23 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.693 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 138.34 32.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.566 0.222 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.714 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.26 47.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.019 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.96 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.442 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.29 69.1 67.49 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-O 120.617 0.246 . . . . 0.0 111.354 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.6 Cg_endo -64.14 145.27 88.97 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.351 2.034 . . . . 0.0 111.889 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.8 m-85 -133.92 148.4 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.155 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.746 0.308 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.47 140.8 37.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.764 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 57.6 mt -141.07 135.89 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.507 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.62 119.51 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.663 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.8 137.81 31.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.672 0.272 . . . . 0.0 111.226 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.771 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.27 136.19 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.864 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 120.89 13.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.363 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.32 69.75 68.73 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-O 120.718 0.294 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.628 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.9 Cg_endo -64.78 145.22 85.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.386 2.057 . . . . 0.0 111.791 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.492 ' CE1' HD11 ' G' ' 3' ' ' ILE . 5.9 m-85 -134.57 148.13 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.44 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.45 137.1 40.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.281 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.22 119.56 12.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.746 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.91 138.19 31.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.338 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.24 136.34 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.32 14.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.586 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 7.5 m -127.26 71.96 76.74 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.739 0.304 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.628 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.7 Cg_endo -67.41 143.28 62.91 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.387 2.058 . . . . 0.0 112.012 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.4 m-85 -132.93 147.25 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.15 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.703 0.287 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' HG23 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.13 136.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.451 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -143.05 132.31 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.11 119.06 12.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' I' ' 6' ' ' LEU . . . -141.92 126.78 18.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 1.7 pp -129.46 136.33 49.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.421 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.634 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.27 121.79 36.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.305 -179.037 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -117.92 72.62 8.75 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' B' ' 9' ' ' PRO . 32.8 Cg_exo -61.66 143.31 96.48 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.721 2.281 . . . . 0.0 112.14 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' N ' HG21 ' I' ' 2' ' ' THR . 1.8 m-85 -135.87 139.48 43.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.424 ' OXT' ' HB3' ' B' ' 11' ' ' SER . 10.8 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.606 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.707 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' THR . . . . . 0.438 HG23 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.42 137.51 35.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.366 . . . . 0.0 111.512 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.799 HD12 ' HE1' ' I' ' 10' ' ' TYR . 3.4 mt -143.04 132.68 21.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.11 118.79 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.096 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 1.081 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -141.92 124.77 16.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 1.7 pp -128.04 136.22 50.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.875 HD12 ' HB1' ' I' ' 4' ' ' ALA . 0.0 OUTLIER -123.44 121.43 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.327 -179.135 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -117.61 72.59 7.85 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.881 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.645 ' HA ' ' HD2' ' C' ' 9' ' ' PRO . 35.8 Cg_exo -60.81 145.05 99.58 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.687 2.258 . . . . 0.0 112.099 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.556 ' N ' HG21 ' J' ' 2' ' ' THR . 1.7 m-85 -137.32 138.27 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.452 ' HB2' ' OG1' ' J' ' 2' ' ' THR . 11.9 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HB2' ' HE2' ' J' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' HG23 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.7 137.23 34.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.414 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.757 HD12 ' HE1' ' J' ' 10' ' ' TYR . 4.0 mt -143.09 132.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 4' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -140.2 118.81 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.137 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' K' ' 6' ' ' LEU . . . -141.85 125.14 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' D' ' 6' ' ' LEU . 1.6 pp -128.32 136.08 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.9 HD12 ' HB1' ' J' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.64 36.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.329 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -118.0 72.27 8.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.944 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.645 ' HD2' ' HA ' ' B' ' 9' ' ' PRO . 38.4 Cg_exo -60.37 145.41 98.7 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.732 2.288 . . . . 0.0 112.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 1.7 m-85 -137.56 136.82 37.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.405 ' HB3' ' OXT' ' B' ' 11' ' ' SER . 9.9 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.556 ' HB2' ' HE2' ' K' ' 10' ' ' TYR . 12.9 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.657 0.265 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 2' ' ' THR . . . . . 0.515 HG23 ' HB ' ' C' ' 2' ' ' THR . 0.2 OUTLIER -139.64 137.51 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.772 HD12 ' HE1' ' K' ' 10' ' ' TYR . 4.9 mt -143.22 132.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 4' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -140.23 118.7 12.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.041 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 1.06 ' HB1' HD21 ' L' ' 6' ' ' LEU . . . -141.93 126.17 17.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 1.6 pp -129.51 136.25 49.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.961 HD12 ' HB1' ' K' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.69 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.301 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -118.23 72.14 9.32 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.848 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.619 ' HD2' ' HA ' ' C' ' 9' ' ' PRO . 35.0 Cg_exo -60.9 145.31 99.24 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.714 2.276 . . . . 0.0 112.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.535 ' N ' HG21 ' L' ' 2' ' ' THR . 1.7 m-85 -136.91 137.12 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.922 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.413 ' HB2' ' HE2' ' L' ' 10' ' ' TYR . 14.0 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.807 0.336 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 2' ' ' THR . . . . . 0.45 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.54 137.4 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.705 HD12 ' HE1' ' L' ' 10' ' ' TYR . 4.6 mt -143.11 132.38 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -140.14 118.51 12.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.063 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 1.011 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.04 124.94 16.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.512 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 1.6 pp -128.67 136.22 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.631 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.928 HD12 ' HB1' ' L' ' 4' ' ' ALA . 0.0 OUTLIER -123.68 121.46 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.205 -179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -118.11 72.62 9.28 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.606 ' HD2' ' HA ' ' D' ' 9' ' ' PRO . 31.6 Cg_exo -61.39 145.23 98.39 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.81 2.34 . . . . 0.0 112.077 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.519 ' H ' HG21 ' M' ' 2' ' ' THR . 1.7 m-85 -136.16 137.11 40.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 9.8 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.502 ' HB2' ' HE2' ' M' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.733 0.301 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 2' ' ' THR . . . . . 0.441 HG23 ' HB ' ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.5 137.46 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.389 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.728 HD12 ' HE1' ' M' ' 10' ' ' TYR . 5.0 mt -143.31 132.51 20.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 4' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -140.25 118.55 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.118 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' N' ' 6' ' ' LEU . . . -141.94 125.1 16.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 1.7 pp -128.72 136.04 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.51 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' M' ' 4' ' ' ALA . 0.0 OUTLIER -123.58 121.58 35.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.157 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -118.2 72.28 9.33 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' HA ' ' E' ' 9' ' ' PRO . 29.5 Cg_exo -61.31 145.09 98.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.786 2.324 . . . . 0.0 111.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.58 ' H ' HG21 ' N' ' 2' ' ' THR . 1.6 m-85 -135.77 135.94 40.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.485 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 9.3 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.417 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 13.8 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 2' ' ' THR . . . . . 0.497 ' HB ' HG23 ' H' ' 2' ' ' THR . 0.2 OUTLIER -139.36 137.71 35.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.599 ' HB ' HG12 ' F' ' 3' ' ' ILE . 5.3 mt -142.99 132.24 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -140.09 118.24 11.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.032 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' O' ' 6' ' ' LEU . . . -142.26 123.94 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.578 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 1.7 pp -128.48 136.18 50.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.489 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.906 HD12 ' HB1' ' N' ' 4' ' ' ALA . 0.0 OUTLIER -123.49 121.66 36.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -117.98 72.1 8.6 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.72 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' N' ' 4' ' ' ALA . 28.5 Cg_exo -61.5 145.2 98.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.609 2.206 . . . . 0.0 111.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.595 ' H ' HG21 ' O' ' 2' ' ' THR . 1.6 m-85 -135.5 136.33 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 10.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.599 0.237 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 2' ' ' THR . . . . . 0.497 HG23 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.59 137.92 35.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.278 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' P' ' 10' ' ' TYR . 5.2 mt -142.97 131.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 111.232 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.27 118.37 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' P' ' 6' ' ' LEU . . . -142.51 124.12 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.942 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.569 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 1.7 pp -127.97 135.99 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.375 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' O' ' 4' ' ' ALA . 0.0 OUTLIER -123.75 121.62 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.161 -179.362 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -118.38 71.66 9.43 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' O' ' 4' ' ' ALA . 27.2 Cg_exo -61.56 144.95 98.1 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.67 2.247 . . . . 0.0 111.799 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.45 135.57 42.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.941 0.4 . . . . 0.0 111.358 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 8.6 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.745 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 1' ' ' TYR . . . . . 0.439 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.697 0.284 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.547 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.14 35.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' I' I ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' J' ' 3' ' ' ILE . 7.5 mt -143.56 133.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 111.513 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 4' ' ' ALA . . . . . 0.875 ' HB1' HD12 ' B' ' 7' ' ' LEU . . . -140.79 118.66 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.76 121.46 12.6 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 5' ' ' ALA . 1.8 pp -125.78 136.59 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.471 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' I' ' 9' ' ' PRO . 0.0 OUTLIER -123.06 122.39 38.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.372 -179.055 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -116.98 72.16 5.87 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.73 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' I' ' 7' ' ' LEU . 35.3 Cg_exo -59.95 145.4 98.43 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.642 2.228 . . . . 0.0 112.259 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.799 ' HE1' HD12 ' B' ' 3' ' ' ILE . 1.9 m-85 -136.03 138.32 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.353 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 8.9 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.439 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 13.1 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.645 0.259 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.556 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.61 138.3 36.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' J' J ' 3' ' ' ILE . . . . . 0.638 ' HB ' HG12 ' K' ' 3' ' ' ILE . 7.4 mt -143.77 133.75 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.303 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 4' ' ' ALA . . . . . 0.9 ' HB1' HD12 ' C' ' 7' ' ' LEU . . . -140.7 118.86 11.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.71 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 1.081 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 pp -124.95 136.4 53.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.723 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.51 ' C ' ' HD3' ' J' ' 9' ' ' PRO . 0.0 OUTLIER -122.22 122.21 38.62 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.351 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m -116.88 72.08 5.69 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.652 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.51 ' HD3' ' C ' ' J' ' 7' ' ' LEU . 39.3 Cg_exo -60.46 145.49 98.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.656 2.237 . . . . 0.0 112.201 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.757 ' HE1' HD12 ' C' ' 3' ' ' ILE . 1.9 m-85 -136.83 137.91 40.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.1 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.506 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 13.0 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.738 0.304 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.11 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' K' K ' 3' ' ' ILE . . . . . 0.638 HG12 ' HB ' ' J' ' 3' ' ' ILE . 7.3 mt -143.73 133.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 0.0 111.22 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 4' ' ' ALA . . . . . 0.961 ' HB1' HD12 ' D' ' 7' ' ' LEU . . . -140.57 118.76 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 120.53 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' C' ' 5' ' ' ALA . 1.8 pp -125.81 136.21 52.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 110.636 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.502 ' C ' ' HD3' ' K' ' 9' ' ' PRO . 0.0 OUTLIER -122.37 122.3 38.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.491 -179.224 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 71.86 5.95 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.876 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' K' ' 7' ' ' LEU . 39.1 Cg_exo -60.68 145.51 98.77 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.639 2.226 . . . . 0.0 112.286 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.772 ' HE1' HD12 ' D' ' 3' ' ' ILE . 1.9 m-85 -136.69 138.35 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.6 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.506 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.548 ' HB ' HG23 ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.86 137.95 35.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' L' L ' 3' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' M' ' 3' ' ' ILE . 7.7 mt -143.62 133.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.157 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 4' ' ' ALA . . . . . 0.928 ' HB1' HD12 ' E' ' 7' ' ' LEU . . . -140.76 118.67 11.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.299 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.57 122.13 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 1.06 HD21 ' HB1' ' D' ' 5' ' ' ALA . 1.8 pp -127.27 136.33 51.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -122.63 122.14 38.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.395 -179.187 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -117.39 72.23 7.02 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.719 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' L' ' 7' ' ' LEU . 39.6 Cg_exo -60.65 145.58 98.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.74 2.293 . . . . 0.0 112.241 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.705 ' HE1' HD12 ' E' ' 3' ' ' ILE . 1.8 m-85 -137.06 137.28 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 9.2 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.582 HG23 ' HB ' ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.81 138.04 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' M' M ' 3' ' ' ILE . . . . . 0.683 HG12 ' HB ' ' L' ' 3' ' ' ILE . 7.9 mt -143.55 134.36 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.61 118.76 11.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.348 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 121.93 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 1.011 HD21 ' HB1' ' E' ' 5' ' ' ALA . 1.7 pp -127.65 136.11 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.609 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.505 ' C ' ' HD3' ' M' ' 9' ' ' PRO . 0.0 OUTLIER -122.86 121.99 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.101 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.0 72.34 5.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.796 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.56 ' HD2' ' HA ' ' N' ' 9' ' ' PRO . 36.0 Cg_exo -61.06 145.36 99.07 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.728 ' HE1' HD12 ' F' ' 3' ' ' ILE . 1.9 m-85 -137.19 137.45 39.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.474 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.634 HG23 ' HB ' ' O' ' 2' ' ' THR . 0.2 OUTLIER -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.166 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' N' N ' 3' ' ' ILE . . . . . 0.629 HG12 ' HB ' ' M' ' 3' ' ' ILE . 7.4 mt -143.44 133.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.205 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.906 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.52 118.73 12.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.61 125.09 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' F' ' 5' ' ' ALA . 1.8 pp -130.38 136.0 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.509 ' C ' ' HD3' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -122.96 121.97 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.48 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 57.1 m -117.27 71.98 6.56 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.629 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.602 ' HD2' ' HA ' ' O' ' 9' ' ' PRO . 39.5 Cg_exo -60.6 145.51 98.69 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.66 2.24 . . . . 0.0 112.208 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.591 ' HE1' HD12 ' G' ' 3' ' ' ILE . 1.7 m-85 -137.25 137.62 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 10.6 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 12.6 m-85 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.634 ' HB ' HG23 ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.9 137.87 35.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.286 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' O' O ' 3' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' P' ' 3' ' ' ILE . 7.9 mt -143.56 134.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.38 118.48 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.87 124.66 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' G' ' 5' ' ' ALA . 1.8 pp -130.55 136.1 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.594 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.55 HD11 HD22 ' P' ' 7' ' ' LEU . 0.0 OUTLIER -122.98 121.91 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.446 -179.176 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -116.92 71.04 5.3 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.682 ' HD2' ' HA ' ' P' ' 9' ' ' PRO . 33.9 Cg_exo -59.7 145.54 97.87 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' G' ' 3' ' ' ILE . 1.8 m-85 -137.77 137.62 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.483 ' HB3' ' OXT' ' P' ' 11' ' ' SER . 11.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.644 0.259 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.74 137.42 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.372 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 3' ' ' ILE . . . . . 0.761 HG12 ' HB ' ' O' ' 3' ' ' ILE . 8.2 mt -143.57 133.43 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -139.19 118.13 12.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.241 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.92 125.8 16.14 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' H' ' 5' ' ' ALA . 1.9 pp -131.21 136.28 48.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.362 . . . . 0.0 110.433 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.55 HD22 HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -121.64 122.14 38.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.54 73.09 7.91 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.682 ' HA ' ' HD2' ' O' ' 9' ' ' PRO . 27.6 Cg_exo -62.33 144.93 95.89 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.766 2.311 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' H' ' 3' ' ' ILE . 1.8 m-85 -137.9 137.93 38.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.483 ' OXT' ' HB3' ' O' ' 11' ' ' SER . 11.9 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.017 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.08 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' I' ' 8' ' ' SER . 25.6 mt -137.86 137.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 126.32 20.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.607 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 139.44 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.64 6.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.199 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.566 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 m -129.07 70.52 81.67 Favored Pre-proline 0 N--CA 1.457 -0.121 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.701 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.608 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -67.15 142.79 62.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.568 2.179 . . . . 0.0 112.213 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' I' ' 2' ' ' THR . 16.2 m-85 -132.08 140.88 49.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.449 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.87 140.52 38.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.527 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' J' ' 8' ' ' SER . 25.4 mt -137.62 137.18 45.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.91 126.27 20.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.222 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.36 139.42 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.792 179.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.782 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.8 42.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.426 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.3 m -129.38 69.8 81.44 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.753 0.311 . . . . 0.0 110.706 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.0 Cg_endo -65.86 145.38 80.22 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.19 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' J' ' 2' ' ' THR . 14.7 m-85 -133.45 139.42 46.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.543 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.693 0.282 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.36 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.434 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' K' ' 8' ' ' SER . 24.8 mt -138.05 136.98 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.02 126.27 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.299 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.545 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.15 139.56 33.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 111.856 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.24 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.827 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.782 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 120.99 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.64 0.257 . . . . 0.0 110.431 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.52 69.09 81.19 Favored Pre-proline 0 N--CA 1.456 -0.153 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.2 Cg_endo -65.21 145.33 83.91 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.545 2.163 . . . . 0.0 112.164 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.57 ' H ' HG21 ' K' ' 2' ' ' THR . 14.7 m-85 -133.26 137.91 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.57 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.17 37.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.32 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.2 mt -137.45 137.19 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.042 0.449 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.21 126.05 19.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.259 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.557 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.55 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.05 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.63 120.94 42.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.629 0.252 . . . . 0.0 110.524 179.193 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -129.53 69.5 81.4 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.1 Cg_endo -65.39 145.4 83.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.466 2.111 . . . . 0.0 111.922 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.573 ' H ' HG21 ' L' ' 2' ' ' THR . 13.6 m-85 -132.9 138.37 46.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.703 0.287 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.13 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.254 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.8 mt -137.51 137.16 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.38 20.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.864 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.45 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.812 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.95 121.02 42.64 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.452 179.241 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -129.7 69.45 81.52 Favored Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.543 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.0 Cg_endo -66.02 145.34 79.21 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.375 2.05 . . . . 0.0 112.014 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.542 ' H ' HG21 ' M' ' 2' ' ' THR . 14.1 m-85 -132.66 138.11 47.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.507 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.721 0.296 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.31 37.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' N' ' 10' ' ' TYR . 27.7 mt -137.84 136.9 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.257 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.46 20.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.254 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.41 139.09 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.873 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 102.88 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.522 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.787 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 120.99 42.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.649 0.262 . . . . 0.0 110.558 179.124 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -129.83 69.42 81.61 Favored Pre-proline 0 C--N 1.333 -0.113 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 37.1 Cg_endo -66.04 145.1 78.42 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.377 2.051 . . . . 0.0 111.836 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' N' ' 2' ' ' THR . 13.3 m-85 -131.48 138.15 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.059 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.689 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 5.5 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.462 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.71 0.291 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.32 37.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.335 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' O' ' 10' ' ' TYR . 35.5 mt -138.18 137.0 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.09 126.34 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.03 33.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 111.775 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.45 102.92 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.9 120.93 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.47 179.283 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -130.2 69.52 81.94 Favored Pre-proline 0 C--O 1.232 0.14 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 38.4 Cg_endo -66.76 145.19 74.4 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.429 2.086 . . . . 0.0 111.802 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' O' ' 2' ' ' THR . 13.3 m-85 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.088 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.686 0.279 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.38 37.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.285 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' P' ' 8' ' ' SER . 34.3 mt -137.66 136.32 45.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.189 0.519 . . . . 0.0 111.48 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 125.48 18.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.493 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.84 138.57 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.67 103.25 6.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.674 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.64 120.94 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.572 179.312 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -130.1 69.55 81.88 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 41.9 Cg_endo -66.58 143.41 68.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.34 2.026 . . . . 0.0 111.745 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.08 135.92 49.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.578 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.836 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.68 0.276 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.7 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.405 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 mt -137.38 136.62 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 111.724 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 121.7 14.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.582 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.61 139.23 38.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.081 0.467 . . . . 0.0 111.61 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 104.01 6.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.101 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.71 120.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 0.0 110.442 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.496 ' HB2' HD13 ' A' ' 3' ' ' ILE . 38.6 m -129.68 69.27 81.42 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.6 Cg_endo -66.82 145.25 74.24 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.475 2.116 . . . . 0.0 112.135 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.449 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 17.7 m-85 -130.43 141.64 50.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.72 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.781 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.442 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.62 37.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.362 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.75 137.1 45.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.462 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.54 123.99 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.349 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.48 139.36 35.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.378 . . . . 0.0 111.401 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.75 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.21 121.05 43.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.433 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.4 m -130.23 69.45 81.95 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 38.0 Cg_endo -67.2 145.37 72.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.565 2.177 . . . . 0.0 112.189 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 16.2 m-85 -131.38 141.94 49.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.72 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.57 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.383 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.14 137.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.46 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.67 122.96 15.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.399 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.72 139.44 36.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.357 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.659 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.88 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.95 43.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.609 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.447 ' HB2' HD13 ' C' ' 3' ' ' ILE . 46.1 m -129.55 69.08 81.21 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 120.686 0.279 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 37.3 Cg_endo -66.85 145.42 74.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.528 2.152 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.57 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 16.2 m-85 -131.67 141.31 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.711 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.715 0.293 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.573 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.48 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.367 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.07 137.17 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.73 16.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.339 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.65 139.33 34.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.66 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.066 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.46 120.87 43.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.565 0.221 . . . . 0.0 110.527 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.46 ' HB2' HD13 ' D' ' 3' ' ' ILE . 42.8 m -129.84 69.4 81.61 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.666 0.27 . . . . 0.0 110.804 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.8 Cg_endo -67.09 145.36 72.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.243 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 15.4 m-85 -131.52 141.16 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.679 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.659 0.266 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.542 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.73 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.41 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 mt -139.12 136.98 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.087 0.47 . . . . 0.0 111.47 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 124.0 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.14 139.46 35.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.395 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.06 6.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.97 120.83 42.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' E' ' 3' ' ' ILE . 43.9 m -129.76 68.72 81.01 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.4 Cg_endo -66.51 145.69 77.47 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.564 2.176 . . . . 0.0 112.148 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.507 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 15.8 m-85 -132.44 140.76 48.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.702 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.65 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.565 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mt -139.88 136.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.84 123.74 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.213 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.47 36.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.619 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.92 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 120.71 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.581 0.229 . . . . 0.0 110.513 179.391 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.461 ' HB2' HD13 ' F' ' 3' ' ' ILE . 46.9 m -129.96 68.68 81.16 Favored Pre-proline 0 CA--C 1.529 0.164 0 CA-C-O 120.727 0.298 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.3 Cg_endo -66.37 145.85 78.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.494 2.129 . . . . 0.0 112.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.3 m-85 -132.43 140.57 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.94 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.656 -179.387 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 mt -140.29 136.79 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.131 0.491 . . . . 0.0 111.6 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.78 123.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.295 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.81 139.29 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.467 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.638 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.56 7.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.38 39.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.648 0.261 . . . . 0.0 110.475 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.498 ' HB2' HD13 ' G' ' 3' ' ' ILE . 47.6 m -129.31 68.95 80.88 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.539 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.0 Cg_endo -66.49 145.59 77.27 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.536 2.157 . . . . 0.0 112.288 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.1 m-85 -132.73 140.95 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.69 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.698 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.78 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.476 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -138.96 137.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.401 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.59 16.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.33 36.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.607 0.242 . . . . 0.0 111.65 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.638 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.52 107.56 8.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.686 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.38 120.95 41.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.617 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' H' ' 3' ' ' ILE . 37.7 m -130.24 71.12 82.36 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.535 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -68.15 144.92 64.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.566 2.178 . . . . 0.0 112.225 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' H' ' 3' ' ' ILE . 17.3 m-85 -133.27 140.06 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.698 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.721 0.296 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -137.42 137.02 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.019 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.16 126.41 21.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.162 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.6 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.61 139.44 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.35 6.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.817 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -110.93 120.98 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.48 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.46 69.67 81.43 Favored Pre-proline 0 N--CA 1.456 -0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.697 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 48.5 Cg_endo -68.8 142.47 52.46 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.499 2.133 . . . . 0.0 112.173 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.569 ' N ' HG21 ' I' ' 2' ' ' THR . 16.0 m-85 -131.35 142.62 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.582 0.229 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.59 140.38 38.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.443 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 mt -137.05 137.08 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 125.67 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.188 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.73 33.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 111.828 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.06 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.871 179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.93 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.182 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -129.23 69.28 81.04 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.4 Cg_endo -67.31 145.19 71.07 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.076 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.532 ' N ' HG21 ' J' ' 2' ' ' THR . 15.0 m-85 -133.58 140.02 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.529 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.733 0.302 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.27 37.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.91 137.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.108 0.48 . . . . 0.0 111.186 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 125.84 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.204 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.4 139.56 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.868 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.17 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.835 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.78 120.93 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.16 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.57 68.6 80.63 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -66.74 145.12 74.27 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.499 2.132 . . . . 0.0 111.957 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.503 ' H ' HG21 ' K' ' 2' ' ' THR . 14.2 m-85 -133.16 139.51 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.548 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.31 37.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.394 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -137.08 137.01 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.98 125.69 19.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.22 139.58 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 111.878 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.617 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 102.97 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.817 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.5 121.03 43.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.364 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.91 68.82 81.28 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.492 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 39.7 Cg_endo -67.27 145.18 71.24 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.12 . . . . 0.0 111.902 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.525 ' H ' HG21 ' L' ' 2' ' ' THR . 14.0 m-85 -132.74 138.64 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.02 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.2 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.37 38.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 125.88 19.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.211 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.27 139.64 33.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 111.808 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.25 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.752 179.629 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 121.03 43.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.42 179.185 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.97 68.51 80.94 Favored Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 38.2 Cg_endo -66.64 144.95 74.32 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.479 2.119 . . . . 0.0 111.8 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.493 ' H ' HG21 ' M' ' 2' ' ' THR . 13.4 m-85 -132.52 139.19 47.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.967 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.536 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.662 0.268 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.21 37.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' N' ' 10' ' ' TYR . 30.6 mt -136.88 137.2 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.022 0.439 . . . . 0.0 111.233 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 125.84 19.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.62 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.833 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.1 6.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.771 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -112.91 120.76 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.367 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -129.92 68.31 80.62 Favored Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.3 Cg_endo -67.1 145.11 72.11 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.376 2.05 . . . . 0.0 111.859 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' N' ' 2' ' ' THR . 13.6 m-85 -131.93 138.82 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.07 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.453 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.21 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' O' ' 10' ' ' TYR . 31.9 mt -137.07 137.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.06 125.65 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.223 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.3 139.48 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.944 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.01 103.03 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.87 42.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.416 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.1 68.42 80.97 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.9 Cg_endo -67.19 145.01 71.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.414 2.076 . . . . 0.0 111.771 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.414 ' H ' HG21 ' O' ' 2' ' ' THR . 13.0 m-85 -131.56 139.03 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.201 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.26 37.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.56 136.59 48.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.155 0.502 . . . . 0.0 111.363 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 123.95 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.536 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.13 138.91 35.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.167 0.508 . . . . 0.0 111.612 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.21 6.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.69 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.16 120.91 42.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.606 0.241 . . . . 0.0 110.528 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -130.07 67.45 79.7 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 41.1 Cg_endo -66.19 143.02 69.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.295 1.996 . . . . 0.0 111.629 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -129.26 137.04 50.84 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 111.668 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.838 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.569 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.07 140.78 38.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.354 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.06 136.27 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.715 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.29 121.58 14.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.602 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.71 139.36 38.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 103.89 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.045 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.84 43.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.69 67.94 79.88 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 40.5 Cg_endo -67.29 145.37 71.81 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.56 2.173 . . . . 0.0 112.117 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 15.2 m-85 -131.25 142.8 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.829 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.432 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.777 0.322 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.532 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.11 140.64 38.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.362 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.34 136.95 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.455 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.09 16.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.38 35.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.313 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.61 103.79 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.94 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.29 120.96 43.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.371 179.385 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.96 68.41 80.81 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.273 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' K' ' 9' ' ' PRO . 42.2 Cg_endo -68.19 145.16 65.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.532 2.155 . . . . 0.0 112.117 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.529 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 14.9 m-85 -131.03 143.81 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.811 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.717 0.294 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.503 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.75 37.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -138.01 136.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.391 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 123.4 16.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.34 139.64 35.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.939 0.4 . . . . 0.0 111.308 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.63 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.963 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.03 120.72 43.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.635 0.255 . . . . 0.0 110.348 179.325 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -130.23 68.37 81.04 Favored Pre-proline 0 C--O 1.231 0.117 0 CA-C-O 120.75 0.309 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 42.1 Cg_endo -68.02 145.24 66.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.524 2.15 . . . . 0.0 112.15 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.548 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 15.8 m-85 -131.34 143.14 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.429 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.769 0.319 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.525 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.56 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.01 136.95 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.45 123.71 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.346 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 139.47 35.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 0.0 111.363 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.97 103.72 6.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.72 120.67 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.607 0.242 . . . . 0.0 110.48 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.84 68.04 80.18 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.726 0.298 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 39.4 Cg_endo -67.41 145.21 70.51 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.492 2.128 . . . . 0.0 112.142 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 16.1 m-85 -131.54 143.0 50.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.648 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.688 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.493 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.55 140.7 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.508 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mt -138.58 136.94 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.086 0.469 . . . . 0.0 111.457 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 123.73 16.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.136 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.97 139.51 34.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.474 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.633 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 103.65 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.023 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.38 120.86 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -130.51 68.25 81.21 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.694 0.283 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 41.2 Cg_endo -67.72 145.38 69.21 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.601 2.201 . . . . 0.0 112.179 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.536 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 16.0 m-85 -131.7 142.06 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.648 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.723 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.72 0.295 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.448 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.559 -179.503 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 36.1 mt -138.85 136.96 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 111.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 122.55 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.322 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.4 139.5 37.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.878 0.371 . . . . 0.0 111.449 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.592 HD13 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.81 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.74 120.63 42.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.1 67.81 80.19 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 39.0 Cg_endo -67.36 145.62 72.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.65 2.233 . . . . 0.0 112.214 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.7 m-85 -132.64 142.1 48.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.647 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.723 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.48 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.84 37.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.558 -179.312 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -139.74 136.63 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.153 0.502 . . . . 0.0 111.617 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 123.65 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.267 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.54 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 0.0 111.391 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.595 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.71 103.88 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.96 120.63 42.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.633 0.254 . . . . 0.0 110.406 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.88 68.12 80.34 Favored Pre-proline 0 CA--C 1.528 0.12 0 CA-C-O 120.763 0.316 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 40.0 Cg_endo -67.78 145.38 68.79 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.447 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.0 m-85 -132.67 141.97 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.672 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.57 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.405 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 33.8 mt -137.65 137.53 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 123.08 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.41 139.41 35.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.626 0.251 . . . . 0.0 111.669 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.595 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 106.49 8.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.17 120.85 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.49 69.42 82.16 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 47.2 Cg_endo -68.83 145.17 61.67 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.542 2.161 . . . . 0.0 112.264 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -132.95 142.99 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.3 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 139.93 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.55 137.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 126.22 20.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.213 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.588 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.4 139.31 33.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.13 103.96 6.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.87 43.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.382 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 69.46 80.41 Favored Pre-proline 0 N--CA 1.456 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -66.91 143.61 67.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.521 2.147 . . . . 0.0 112.0 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' N ' HG21 ' I' ' 2' ' ' THR . 13.8 m-85 -131.95 142.11 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 4.4 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.048 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.432 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.768 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.13 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.351 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -136.04 137.28 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.22 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.59 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.31 6.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.757 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.77 42.5 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.35 179.121 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.95 68.54 79.75 Favored Pre-proline 0 N--CA 1.456 -0.155 0 CA-C-O 120.748 0.308 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.67 145.39 81.41 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.555 ' N ' HG21 ' J' ' 2' ' ' THR . 12.7 m-85 -132.99 139.26 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.556 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.512 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.702 0.286 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.19 37.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.384 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' K' ' 10' ' ' TYR . 25.2 mt -136.44 137.16 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 126.54 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.46 33.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.845 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.594 HD13 ' O ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 103.29 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.761 179.643 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.84 120.62 41.36 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.334 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.02 68.75 80.29 Favored Pre-proline 0 C--N 1.333 -0.122 0 CA-C-O 120.725 0.297 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.537 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 35.8 Cg_endo -65.47 145.43 82.6 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.474 2.116 . . . . 0.0 112.0 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.512 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.84 138.41 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.779 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.59 0.234 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.15 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.273 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -136.51 137.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 126.39 19.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.53 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.22 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.777 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.37 120.91 42.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.045 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.52 68.66 80.68 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.683 0.278 . . . . 0.0 110.919 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.541 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.45 145.3 82.45 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.149 . . . . 0.0 111.915 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 12.6 m-85 -132.54 137.44 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.504 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.733 0.301 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.14 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.239 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.3 mt -136.41 136.97 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.008 0.433 . . . . 0.0 111.235 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.29 19.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.25 139.35 33.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.885 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.21 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.95 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.91 42.62 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.415 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.34 68.16 79.77 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.983 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.4 Cg_endo -64.94 145.03 84.75 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.404 2.069 . . . . 0.0 111.867 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' M' ' 2' ' ' THR . 12.1 m-85 -131.72 137.96 48.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.665 0.269 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.14 37.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.226 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.449 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.2 mt -136.6 137.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 111.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.3 19.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.43 33.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.803 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.645 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 103.11 6.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.54 121.02 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.65 0.262 . . . . 0.0 110.385 179.186 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 68.12 80.0 Favored Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.1 144.56 82.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.403 2.068 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' N' ' 2' ' ' THR . 12.0 m-85 -130.99 137.46 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.042 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 2.8 t . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.444 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.814 0.34 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.27 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' O' ' 10' ' ' TYR . 30.3 mt -136.75 137.03 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 126.26 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.569 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.41 139.3 33.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 111.797 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 102.93 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.4 120.92 42.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.654 0.264 . . . . 0.0 110.411 179.092 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.81 68.05 80.15 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.0 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.3 Cg_endo -65.42 144.84 81.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.412 2.075 . . . . 0.0 111.766 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -130.74 137.25 49.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.201 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 2.1 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.715 0.293 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.18 37.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -135.85 136.36 50.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 111.387 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 124.24 17.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.607 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.46 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.19 138.43 35.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.045 0.45 . . . . 0.0 111.612 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 103.18 6.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.642 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.04 120.92 41.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.376 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.51 68.37 80.26 Favored Pre-proline 0 C--O 1.233 0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.479 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 39.4 Cg_endo -65.75 142.29 69.42 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.45 2.1 . . . . 0.0 111.684 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -127.65 136.89 52.23 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.787 0.327 . . . . 0.0 111.577 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.552 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 1.5 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.788 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.699 0.285 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.553 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.65 37.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.442 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -136.21 136.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.199 0.523 . . . . 0.0 111.752 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.46 122.01 15.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.679 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.47 139.02 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.471 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.04 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.07 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.61 120.69 41.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.635 0.255 . . . . 0.0 110.329 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.5 68.0 77.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.9 Cg_endo -66.21 145.32 78.02 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.479 2.119 . . . . 0.0 111.956 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.432 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.8 m-85 -131.09 141.52 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.616 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 1.6 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.849 0.357 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.555 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.54 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.387 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -136.61 137.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.47 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.48 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.398 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.34 36.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.283 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 103.75 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.047 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.98 120.79 43.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.457 179.301 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 68.09 78.72 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-O 120.666 0.27 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.526 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.7 Cg_endo -66.89 144.6 71.35 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.512 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.8 m-85 -130.16 142.57 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.617 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.512 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.55 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.414 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 37.6 mt -137.19 136.91 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.469 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 123.57 16.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.323 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.86 139.37 36.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.25 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.666 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.81 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.03 120.65 42.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 179.365 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.2 68.18 79.64 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.658 0.266 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 38.0 Cg_endo -66.63 145.37 75.71 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.396 2.064 . . . . 0.0 112.239 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 13.4 m-85 -131.19 141.66 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.5 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.75 0.309 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.29 140.67 37.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.383 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -137.2 137.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.71 123.26 16.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.35 36.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 111.25 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 104.27 6.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.65 120.73 42.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.416 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.5 67.99 79.71 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.733 0.302 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 38.0 Cg_endo -66.64 145.31 75.51 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.481 2.121 . . . . 0.0 112.091 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 13.0 m-85 -130.91 142.39 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.653 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 2.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.583 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.46 140.67 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.435 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 mt -137.7 137.16 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.039 0.447 . . . . 0.0 111.467 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.47 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.351 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.93 139.24 36.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 111.42 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.628 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.97 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.37 120.69 42.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.393 179.318 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.6 68.46 80.48 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 37.7 Cg_endo -67.02 145.19 72.81 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.408 2.072 . . . . 0.0 112.196 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.2 m-85 -130.96 141.38 50.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.583 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.496 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.1 137.02 44.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.103 0.478 . . . . 0.0 111.462 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.79 122.6 15.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.84 139.41 38.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.375 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.01 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.04 120.64 42.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.422 179.319 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 67.68 79.32 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.707 0.289 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.66 145.61 82.0 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.542 2.161 . . . . 0.0 112.188 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.449 ' CE1' HD11 ' F' ' 3' ' ' ILE . 13.3 m-85 -131.66 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.649 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.575 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.821 0.343 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.54 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.583 -179.477 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' O' O ' 3' ' ' ILE . . . . . 0.437 ' HB ' HG12 ' P' ' 3' ' ' ILE . 41.2 mt -138.12 137.05 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 111.504 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.93 122.89 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.311 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 139.39 37.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.656 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.85 7.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.51 40.38 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.311 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.31 67.8 79.21 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.8 Cg_endo -65.96 145.75 80.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.081 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' G' ' 3' ' ' ILE . 13.7 m-85 -132.37 141.15 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.646 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.61 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.34 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB ' ' O' ' 3' ' ' ILE . 36.3 mt -137.66 137.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.368 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.24 123.17 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.38 36.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.525 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.656 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 109.12 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.683 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.54 120.62 39.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.412 179.471 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 69.85 81.74 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.857 0.36 . . . . 0.0 111.016 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.3 Cg_endo -67.41 145.18 70.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.583 2.188 . . . . 0.0 112.078 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -132.9 140.42 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 4.2 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.35 37.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' I' ' 8' ' ' SER . 23.3 mt -138.15 137.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.85 128.08 22.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.605 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.18 139.41 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.6 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 179.306 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.449 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -128.81 69.41 80.17 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.9 Cg_endo -66.95 143.2 65.24 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.055 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.574 ' N ' HG21 ' I' ' 2' ' ' THR . 13.6 m-85 -132.29 142.64 49.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.698 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.523 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.41 37.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.356 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' J' ' 8' ' ' SER . 19.5 mt -137.59 137.2 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 128.04 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.34 139.23 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.825 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.72 103.0 5.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.86 179.442 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.763 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.14 120.71 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.163 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -128.9 68.61 79.66 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.576 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.9 Cg_endo -65.18 145.42 84.27 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.346 2.03 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' J' ' 2' ' ' THR . 12.4 m-85 -133.53 139.18 46.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.11 37.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.501 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' K' ' 8' ' ' SER . 21.5 mt -137.48 137.14 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.67 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.894 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.09 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.765 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.15 120.72 42.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.012 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.23 68.78 80.55 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.681 0.277 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.2 Cg_endo -65.86 145.45 80.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.413 2.075 . . . . 0.0 112.083 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.555 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.89 138.73 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.35 37.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.325 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' L' ' 8' ' ' SER . 23.0 mt -137.7 137.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.05 127.76 21.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.25 139.26 33.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.811 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.01 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.895 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.87 42.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.26 68.56 80.26 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 33.8 Cg_endo -65.21 145.21 83.6 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.41 2.073 . . . . 0.0 111.976 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' L' ' 2' ' ' THR . 12.2 m-85 -132.6 138.78 47.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.23 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' M' ' 8' ' ' SER . 26.9 mt -137.52 137.17 45.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 127.81 21.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.291 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.574 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 111.834 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.6 103.02 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 121.26 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.79 68.41 80.62 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.8 Cg_endo -65.16 145.26 84.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.391 2.061 . . . . 0.0 111.865 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.546 ' H ' HG21 ' M' ' 2' ' ' THR . 11.7 m-85 -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.95 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.496 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.34 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.307 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' N' ' 8' ' ' SER . 27.6 mt -137.5 137.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.17 127.6 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.356 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.37 139.39 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.844 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.48 103.16 6.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.857 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.39 121.21 43.66 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.451 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -129.85 67.92 80.03 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.741 0.305 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.32 144.76 81.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.408 2.072 . . . . 0.0 111.771 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' N' ' 2' ' ' THR . 11.3 m-85 -131.57 139.07 49.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.494 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.661 0.267 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.23 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.338 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' O' ' 8' ' ' SER . 29.5 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.247 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 127.53 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.282 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.33 139.4 33.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.4 . . . . 0.0 111.729 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.29 102.99 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.864 179.557 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.32 120.84 42.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.43 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.9 68.27 80.55 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.8 Cg_endo -66.12 144.49 75.67 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.393 2.062 . . . . 0.0 111.51 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -130.42 139.05 50.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.193 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.421 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.757 0.313 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.47 37.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.337 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' P' ' 8' ' ' SER . 33.9 mt -137.67 136.63 45.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.25 0.548 . . . . 0.0 111.43 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 126.93 20.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.583 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.93 138.53 33.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.626 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.83 103.37 6.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.76 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.28 121.14 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.533 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.95 67.71 79.88 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.9 Cg_endo -65.18 143.12 76.6 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.339 2.026 . . . . 0.0 111.56 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -128.83 136.98 51.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.36 . . . . 0.0 111.576 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.815 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.736 0.303 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.574 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.75 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.49 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.02 136.71 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.089 0.471 . . . . 0.0 111.635 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.86 16.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.626 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.8 138.99 38.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.539 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 104.91 7.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.144 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.06 120.79 41.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.52 0.2 . . . . 0.0 110.493 179.314 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.539 ' HB2' HD13 ' A' ' 3' ' ' ILE . 5.4 m -129.0 68.48 79.87 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.618 0.246 . . . . 0.0 111.002 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.27 145.17 77.25 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.048 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 12.7 m-85 -130.86 142.91 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.66 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.358 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -137.7 137.12 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 125.09 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.275 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.41 36.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.926 0.393 . . . . 0.0 111.265 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.92 103.89 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.78 120.92 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.44 179.299 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.523 ' HB2' HD13 ' B' ' 3' ' ' ILE . 5.0 m -129.51 68.09 79.86 Favored Pre-proline 0 C--O 1.232 0.155 0 CA-C-O 120.704 0.288 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.576 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 38.8 Cg_endo -67.12 145.24 72.37 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.48 2.12 . . . . 0.0 112.173 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 12.8 m-85 -131.22 144.02 51.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.024 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.789 0.328 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.555 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.56 37.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -138.02 136.87 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.332 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.38 125.92 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.92 139.19 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.335 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.87 6.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.081 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.92 43.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.455 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' C' ' 3' ' ' ILE . 4.3 m -129.6 68.43 80.43 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 38.1 Cg_endo -67.19 145.35 72.35 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.496 2.131 . . . . 0.0 112.048 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.7 m-85 -131.47 142.76 50.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.76 37.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.421 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mt -138.55 136.9 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.58 124.94 17.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.283 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.34 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.97 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.951 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.26 120.75 42.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.612 0.244 . . . . 0.0 110.51 179.367 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.506 ' HB2' HD13 ' D' ' 3' ' ' ILE . 5.2 m -129.34 67.89 79.4 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-O 120.647 0.261 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.545 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.6 Cg_endo -66.55 145.55 76.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.179 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.2 m-85 -131.81 142.64 49.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.546 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.52 140.76 37.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -139.15 136.89 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.086 0.469 . . . . 0.0 111.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.63 125.14 17.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.241 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.25 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.356 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.25 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.8 42.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' E' ' 3' ' ' ILE . 4.7 m -129.91 67.88 80.05 Favored Pre-proline 0 CA--C 1.528 0.113 0 CA-C-O 120.765 0.317 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.6 Cg_endo -66.02 145.62 80.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.546 2.164 . . . . 0.0 112.14 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.504 ' CE1' HD11 ' E' ' 3' ' ' ILE . 12.4 m-85 -131.5 142.86 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.555 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.78 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.603 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.87 136.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.499 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.464 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.76 124.66 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 139.74 36.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.496 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.609 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.91 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.129 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.62 120.76 42.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.329 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.536 ' HB2' HD13 ' F' ' 3' ' ' ILE . 4.8 m -129.87 68.12 80.32 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-O 120.679 0.276 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -66.22 145.86 79.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.612 2.208 . . . . 0.0 112.202 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.494 ' CE1' HD11 ' F' ' 3' ' ' ILE . 12.7 m-85 -132.4 142.02 49.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.76 0.314 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.38 140.94 37.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.539 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.1 136.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 111.538 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 125.18 17.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.363 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.4 36.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.393 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.635 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 105.12 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.056 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.87 120.77 41.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.436 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.543 ' HB2' HD13 ' G' ' 3' ' ' ILE . 4.5 m -129.57 67.74 79.44 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 145.57 81.19 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.508 2.139 . . . . 0.0 112.174 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' G' ' 3' ' ' ILE . 12.6 m-85 -132.57 142.51 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.61 37.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.17 137.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.32 124.12 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.24 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.37 139.37 37.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.657 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.635 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.78 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.59 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.699 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.21 120.99 41.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.485 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' H' ' 3' ' ' ILE . 4.9 m -130.61 70.25 82.4 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.052 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.61 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 43.1 Cg_endo -68.07 145.05 65.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.581 2.187 . . . . 0.0 112.144 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.8 m-85 -132.81 142.26 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.951 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.1 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.401 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' I' ' 8' ' ' SER . 28.1 mt -138.35 137.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.84 126.61 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.15 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.43 139.48 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.85 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.29 120.88 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.543 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -129.13 69.24 80.92 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-O 120.828 0.347 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 40.0 Cg_endo -67.44 142.31 59.11 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.512 2.142 . . . . 0.0 112.155 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' N ' HG21 ' I' ' 2' ' ' THR . 13.3 m-85 -132.46 142.08 49.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 1.3 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.525 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.646 0.26 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.29 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.541 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' J' ' 8' ' ' SER . 21.7 mt -138.16 136.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.82 126.54 20.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.58 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.37 139.42 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 0.0 111.863 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.36 103.14 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.804 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.6 41.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.45 179.203 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -129.42 68.78 80.74 Favored Pre-proline 0 C--O 1.232 0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.2 Cg_endo -66.3 145.23 77.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.535 2.157 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 12.9 m-85 -134.26 138.87 45.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.748 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 1.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.755 0.312 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.358 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' K' ' 8' ' ' SER . 25.8 mt -137.87 137.15 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.64 20.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.301 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.572 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.51 139.57 33.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.961 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.38 102.97 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.797 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.18 121.03 43.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 179.058 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -129.8 68.61 80.9 Favored Pre-proline 0 C--O 1.231 0.123 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.87 145.26 79.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.15 . . . . 0.0 112.06 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.557 ' H ' HG21 ' K' ' 2' ' ' THR . 12.5 m-85 -134.3 138.86 45.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.552 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.776 0.322 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.15 37.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.467 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' L' ' 8' ' ' SER . 28.8 mt -138.29 136.54 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.49 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.234 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.44 139.51 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.951 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 103.12 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.815 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.25 120.94 42.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.447 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -129.5 68.35 80.23 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 144.73 78.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.382 2.054 . . . . 0.0 111.868 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.52 ' H ' HG21 ' L' ' 2' ' ' THR . 11.9 m-85 -133.32 138.78 46.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.12 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.305 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' M' ' 8' ' ' SER . 31.3 mt -138.32 136.72 44.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 126.67 20.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.232 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.5 139.42 33.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.92 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.79 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.836 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.83 42.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.66 0.267 . . . . 0.0 110.488 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.56 68.37 80.32 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.7 Cg_endo -65.99 144.58 76.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.342 2.028 . . . . 0.0 111.951 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.508 ' H ' HG21 ' M' ' 2' ' ' THR . 12.0 m-85 -132.9 138.92 47.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.986 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.81 140.23 38.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.419 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' N' ' 8' ' ' SER . 31.8 mt -138.62 136.62 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.479 . . . . 0.0 111.238 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.68 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.19 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 0.0 111.816 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.14 103.02 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.724 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.99 42.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.651 0.262 . . . . 0.0 110.399 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.07 67.79 80.14 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.971 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.495 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 36.9 Cg_endo -65.55 144.85 80.53 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.385 2.056 . . . . 0.0 111.766 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.462 ' H ' HG21 ' N' ' 2' ' ' THR . 11.8 m-85 -132.67 138.91 47.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.938 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 18.5 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.37 37.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.363 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' O' ' 8' ' ' SER . 32.2 mt -138.48 136.78 43.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.247 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.59 20.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.35 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.58 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.29 139.5 33.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 111.884 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 102.99 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.784 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.84 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.397 179.18 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.32 67.87 80.53 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.515 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.2 Cg_endo -66.37 145.01 76.13 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.349 2.032 . . . . 0.0 111.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.428 ' H ' HG21 ' O' ' 2' ' ' THR . 11.8 m-85 -132.21 138.57 48.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.242 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.472 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.29 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' P' ' 8' ' ' SER . 35.2 mt -138.42 136.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.221 0.534 . . . . 0.0 111.336 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 125.11 18.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.506 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.31 138.79 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.145 0.498 . . . . 0.0 111.707 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.57 103.22 6.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.682 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.665 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.35 120.98 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.469 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.14 67.11 79.35 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.8 Cg_endo -65.39 142.54 72.83 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.404 2.07 . . . . 0.0 111.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -129.18 138.79 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.812 0.339 . . . . 0.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.896 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.562 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.72 37.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.79 136.42 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.256 0.551 . . . . 0.0 111.618 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 122.03 15.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.635 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.04 139.01 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.0 111.547 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.75 6.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.86 42.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.646 0.26 . . . . 0.0 110.381 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 3' ' ' ILE . 4.0 m -130.0 67.88 80.15 Favored Pre-proline 0 CA--C 1.528 0.101 0 CA-C-O 120.718 0.294 . . . . 0.0 110.982 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.49 145.2 76.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.496 2.131 . . . . 0.0 112.164 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.5 m-85 -131.55 142.07 49.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.829 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.726 0.298 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.66 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.442 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.3 136.73 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.331 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.8 16.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.455 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.5 139.3 35.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.285 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.91 103.57 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -111.83 120.72 42.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.367 179.501 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.492 ' HB2' HD13 ' B' ' 3' ' ' ILE . 4.3 m -129.58 67.98 79.79 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.66 0.267 . . . . 0.0 110.787 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 37.3 Cg_endo -66.69 145.21 74.87 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.48 2.12 . . . . 0.0 112.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.0 m-85 -132.12 142.64 49.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.525 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.764 0.316 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.557 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.62 37.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.63 136.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.339 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 123.79 16.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.56 139.5 35.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.903 0.382 . . . . 0.0 111.358 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.76 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.89 43.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.47 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.497 ' HB2' HD13 ' C' ' 3' ' ' ILE . 3.7 m -129.96 67.36 79.44 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 36.7 Cg_endo -65.84 145.58 80.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.569 2.179 . . . . 0.0 112.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.552 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.6 m-85 -132.69 141.15 48.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.437 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.533 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.666 0.269 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.52 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.67 37.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.403 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -139.12 136.84 42.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.403 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 123.97 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.202 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.47 139.51 35.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 111.408 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 103.93 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.3 120.81 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.517 ' HB2' HD13 ' D' ' 3' ' ' ILE . 3.4 m -130.28 67.78 80.37 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-O 120.677 0.275 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 37.2 Cg_endo -66.29 145.63 78.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.9 m-85 -132.88 141.69 48.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.722 0.296 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.508 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.44 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.583 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -139.47 136.82 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 0.0 111.397 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.79 123.65 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.326 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 139.51 36.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.492 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.12 103.83 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.59 120.9 43.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.516 ' HB2' HD13 ' E' ' 3' ' ' ILE . 3.7 m -130.21 67.66 80.13 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.707 0.289 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.3 Cg_endo -66.08 145.71 79.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.493 2.129 . . . . 0.0 112.152 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.1 m-85 -133.14 141.14 47.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' N' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.695 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.723 0.296 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.462 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.62 140.57 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.546 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.13 136.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.062 0.458 . . . . 0.0 111.406 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.88 123.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.282 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.31 139.42 35.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 0.0 111.499 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.23 104.08 6.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.71 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' F' ' 3' ' ' ILE . 3.1 m -130.22 67.44 79.86 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.676 0.274 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 36.3 Cg_endo -65.76 145.56 81.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.519 2.146 . . . . 0.0 112.265 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 13.4 m-85 -133.4 140.76 47.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.798 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.008 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.762 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.88 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.714 -179.319 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -140.84 136.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.622 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.59 124.13 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 139.34 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.535 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.96 6.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.96 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.02 120.51 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.415 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.522 ' HB2' HD13 ' G' ' 3' ' ' ILE . 3.2 m -129.68 67.54 79.31 Favored Pre-proline 0 CA--C 1.528 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.599 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 35.7 Cg_endo -65.66 145.73 82.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.225 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.472 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 13.6 m-85 -134.12 141.27 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.508 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.64 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.779 0.323 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.7 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.381 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.91 137.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.246 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.4 16.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.57 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 111.695 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.623 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.07 8.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.814 179.61 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.661 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.397 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' H' ' 3' ' ' ILE . 3.3 m -130.56 69.93 82.31 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.599 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.5 Cg_endo -68.18 145.11 65.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.575 2.183 . . . . 0.0 112.253 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -134.27 141.16 46.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.79 140.13 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 mt -139.0 137.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.74 126.33 20.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.604 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.29 139.2 33.61 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.62 103.42 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.24 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.67 120.91 43.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 110.591 179.358 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -129.33 70.42 81.75 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 41.5 Cg_endo -68.0 143.71 61.22 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.516 2.144 . . . . 0.0 112.085 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' I' ' 2' ' ' THR . 18.5 m-85 -131.74 140.67 49.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.419 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.688 0.28 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.98 140.27 38.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 mt -138.47 136.9 43.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.052 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.83 125.57 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -140.73 139.41 34.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 111.917 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.51 103.3 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.792 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.8 42.02 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.403 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.05 70.12 81.41 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.3 Cg_endo -66.86 145.46 74.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.44 2.093 . . . . 0.0 112.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.554 ' N ' HG21 ' J' ' 2' ' ' THR . 17.0 m-85 -132.96 140.11 47.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.609 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.692 0.282 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.3 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' K' ' 10' ' ' TYR . 20.0 mt -138.87 136.86 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.473 . . . . 0.0 111.152 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.58 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.287 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.36 139.22 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 111.817 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.597 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.752 179.585 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.67 120.75 41.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.454 179.167 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -128.99 69.9 81.2 Favored Pre-proline 0 C--N 1.333 -0.145 0 CA-C-O 120.737 0.303 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.89 145.16 73.48 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.424 2.083 . . . . 0.0 112.1 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.533 ' H ' HG21 ' K' ' 2' ' ' THR . 17.1 m-85 -132.29 139.19 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.14 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' L' ' 10' ' ' TYR . 20.6 mt -138.76 136.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 126.28 20.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.245 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.54 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.26 139.28 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.25 6.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -114.03 120.77 41.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.442 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -129.22 69.55 81.18 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.5 Cg_endo -66.4 145.28 76.79 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' L' ' 2' ' ' THR . 16.8 m-85 -132.53 137.12 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.917 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.557 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.649 0.261 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.19 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.404 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.486 HD11 ' HE1' ' M' ' 10' ' ' TYR . 22.2 mt -138.65 136.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 126.07 19.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.231 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.53 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.33 139.41 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 111.891 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.46 103.02 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.851 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.6 120.87 42.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.607 0.241 . . . . 0.0 110.444 179.089 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 13.8 m -129.62 69.94 81.68 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 38.6 Cg_endo -67.14 145.1 71.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.43 2.086 . . . . 0.0 111.931 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.547 ' H ' HG21 ' M' ' 2' ' ' THR . 16.0 m-85 -131.59 137.31 48.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.599 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.557 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.767 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.28 37.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.378 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' N' ' 10' ' ' TYR . 24.6 mt -138.96 136.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 126.3 19.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.211 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.4 139.22 33.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.718 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.644 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.89 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.805 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 120.91 42.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.631 0.253 . . . . 0.0 110.487 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -129.81 69.78 81.74 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.514 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.4 Cg_endo -67.0 145.1 72.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.379 2.053 . . . . 0.0 111.913 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' N' ' 2' ' ' THR . 15.2 m-85 -131.26 137.95 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 3.9 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.492 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.56 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.365 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.3 mt -138.91 136.87 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.13 19.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.266 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.568 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.36 139.15 33.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 111.863 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.56 102.9 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.796 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.82 121.02 42.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -129.99 69.57 81.8 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.49 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 41.8 Cg_endo -67.52 143.35 62.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.381 2.054 . . . . 0.0 111.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -128.79 138.48 52.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.652 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.32 38.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' P' ' 10' ' ' TYR . 29.0 mt -138.74 135.96 43.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.207 0.527 . . . . 0.0 111.464 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 124.76 18.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.611 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.41 138.21 34.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.635 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.07 6.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.691 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.5 121.06 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 0.0 110.431 179.259 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -129.76 69.29 81.5 Favored Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.2 Cg_endo -67.06 143.61 66.24 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.327 2.018 . . . . 0.0 111.748 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -128.6 137.28 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 11' ' ' SER . . . . . 0.634 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.826 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.1 140.74 38.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.396 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 mt -138.85 136.15 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.155 0.503 . . . . 0.0 111.593 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 121.25 14.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.632 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.0 139.05 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.036 0.446 . . . . 0.0 111.525 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.91 6.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.061 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.65 120.82 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.231 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -129.15 68.9 80.65 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 39.3 Cg_endo -67.26 145.02 70.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.561 2.174 . . . . 0.0 112.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.419 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.4 m-85 -129.99 142.34 50.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.135 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.699 0.285 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.554 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.84 37.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.457 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 mt -139.2 136.68 41.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.486 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.59 123.41 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.44 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.08 35.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 111.377 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.95 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.71 120.9 43.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.405 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -129.61 69.35 81.39 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 40.9 Cg_endo -67.96 145.34 67.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.481 2.121 . . . . 0.0 112.153 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 17.6 m-85 -130.58 143.0 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.695 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.805 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.4 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.533 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.38 140.68 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.423 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.44 136.73 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.52 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.275 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.29 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.344 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 103.53 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.97 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.05 120.69 42.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.39 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -129.91 69.38 81.66 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -68.17 145.33 66.24 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.525 2.15 . . . . 0.0 112.185 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 17.7 m-85 -130.41 142.73 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.657 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.711 0.291 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.46 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.422 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.56 136.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.73 123.57 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.368 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.33 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 111.261 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.9 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.916 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.92 120.51 41.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.227 . . . . 0.0 110.5 179.377 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 11.9 m -129.13 68.87 80.59 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.708 0.29 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.547 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 39.0 Cg_endo -67.53 145.49 70.77 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.533 2.155 . . . . 0.0 112.224 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' D' ' 3' ' ' ILE . 17.8 m-85 -131.08 142.12 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.657 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.547 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.457 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mt -139.84 136.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.357 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.365 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.54 139.24 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.403 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.61 HD13 ' O ' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.93 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.84 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.449 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m -129.6 68.58 80.64 Favored Pre-proline 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.566 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 38.0 Cg_endo -67.22 145.56 72.9 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.674 2.25 . . . . 0.0 112.211 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -131.32 142.29 50.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.712 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.718 0.294 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.62 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.589 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.59 136.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.348 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.64 123.23 16.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.218 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.41 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.538 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.631 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 104.25 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.978 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.96 120.7 41.54 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.426 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.95 68.91 81.44 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.566 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 37.8 Cg_endo -66.98 145.82 75.26 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.664 2.242 . . . . 0.0 112.228 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.492 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 17.8 m-85 -131.78 141.12 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.712 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.61 140.93 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -141.01 136.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.8 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.275 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 139.29 37.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.644 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.71 6.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.5 120.53 40.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.442 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -129.68 68.88 81.13 Favored Pre-proline 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.323 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.548 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.6 Cg_endo -66.92 146.02 76.28 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.194 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' G' ' 3' ' ' ILE . 17.7 m-85 -132.29 141.59 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.634 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.331 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.69 37.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -140.01 137.37 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.373 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.48 122.74 15.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.95 139.04 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.536 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.644 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.74 107.87 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.17 120.67 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.489 179.598 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -129.73 70.94 82.19 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.0 Cg_endo -69.0 145.24 60.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.562 2.175 . . . . 0.0 112.187 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.545 ' CE1' HD11 ' H' ' 3' ' ' ILE . 18.8 m-85 -132.87 141.14 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.677 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.11 37.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' I' ' 8' ' ' SER . 21.8 mt -138.39 137.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.17 128.37 23.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.601 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 138.89 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.7 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.889 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.61 120.95 43.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.629 0.252 . . . . 0.0 110.614 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -128.61 69.8 79.72 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.715 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.647 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.69 141.62 60.73 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.179 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' N ' HG21 ' I' ' 2' ' ' THR . 11.2 m-85 -132.35 141.9 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.745 0.307 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.39 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.518 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' J' ' 8' ' ' SER . 24.7 mt -138.29 137.21 44.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.6 127.89 22.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.307 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 139.13 33.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.821 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.597 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.75 103.48 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.833 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.72 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.385 179.121 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -128.87 69.1 80.21 Favored Pre-proline 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.66 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.647 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.2 Cg_endo -65.37 145.07 82.34 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.517 2.144 . . . . 0.0 112.037 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' J' ' 2' ' ' THR . 10.6 m-85 -134.8 141.55 46.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.555 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.14 37.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' K' ' 8' ' ' SER . 26.1 mt -137.96 137.23 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.055 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 128.13 22.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.326 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.37 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.951 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.28 6.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.856 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.02 120.71 41.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.434 179.108 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -129.09 68.9 80.59 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 32.8 Cg_endo -64.5 145.36 87.45 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.511 2.14 . . . . 0.0 112.021 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.54 ' H ' HG21 ' K' ' 2' ' ' THR . 10.1 m-85 -134.76 139.5 45.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.648 0.261 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.88 140.41 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.495 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.7 mt -138.25 137.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.89 128.47 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.581 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.28 138.84 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.857 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.42 6.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.887 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -114.35 120.82 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 110.44 179.143 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.3 68.98 80.91 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -65.37 145.29 82.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.397 2.065 . . . . 0.0 112.056 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.571 ' H ' HG21 ' L' ' 2' ' ' THR . 10.5 m-85 -134.39 138.37 44.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.904 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.49 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.745 0.307 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.06 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.316 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' M' ' 8' ' ' SER . 28.5 mt -138.05 137.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 128.17 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.431 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.16 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 111.907 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.47 103.63 6.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.3 120.81 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.49 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -129.34 68.59 80.39 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.2 Cg_endo -64.95 145.23 85.15 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.52 2.146 . . . . 0.0 111.878 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.523 ' H ' HG21 ' M' ' 2' ' ' THR . 10.1 m-85 -134.19 138.87 45.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.735 0.303 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.21 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.278 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' N' ' 10' ' ' TYR . 29.0 mt -138.25 137.17 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 127.9 21.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.556 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.35 139.21 33.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.385 . . . . 0.0 111.852 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.61 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.31 6.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.912 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.781 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.8 120.92 42.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.493 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -129.64 68.56 80.65 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 36.7 Cg_endo -65.21 145.18 83.54 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.443 2.095 . . . . 0.0 111.784 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' N' ' 2' ' ' THR . 9.5 m-85 -133.34 138.76 46.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.792 0.329 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.19 37.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.6 mt -137.98 137.05 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 127.73 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.573 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 138.94 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.007 0.432 . . . . 0.0 111.695 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.77 103.12 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.027 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.93 120.97 42.52 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.474 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 46.5 m -129.66 68.73 80.92 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.758 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.92 145.04 78.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.363 2.042 . . . . 0.0 111.865 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.454 ' H ' HG21 ' O' ' 2' ' ' THR . 9.8 m-85 -132.83 136.9 46.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.178 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 11' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.827 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.38 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.398 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' P' ' 8' ' ' SER . 39.2 mt -137.5 136.58 46.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.147 0.499 . . . . 0.0 111.362 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.58 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.646 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.541 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -139.84 137.6 35.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.147 0.498 . . . . 0.0 111.615 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.72 103.23 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.718 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.66 120.99 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.543 179.263 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 46.4 m -129.62 68.17 80.1 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.494 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.7 Cg_endo -65.23 142.57 74.03 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.425 2.083 . . . . 0.0 111.653 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -129.94 137.18 50.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.88 0.371 . . . . 0.0 111.502 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.89 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.752 0.311 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.558 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.7 37.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.429 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.79 136.75 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 111.625 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.96 16.02 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.651 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.1 138.83 39.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.568 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.635 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.9 105.45 7.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.121 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.98 120.89 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.646 0.26 . . . . 0.0 110.457 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . 51.0 m -129.0 68.19 79.44 Favored Pre-proline 0 C--O 1.231 0.125 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.3 Cg_endo -65.72 145.13 80.39 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.481 2.12 . . . . 0.0 112.067 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 10.3 m-85 -132.12 142.17 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.724 0.297 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.54 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -138.41 137.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.418 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 124.71 17.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.426 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.16 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 111.308 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 104.46 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.181 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -113.13 120.98 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.487 179.4 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.0 m -129.75 68.35 80.49 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 36.5 Cg_endo -65.7 145.38 81.17 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.559 2.173 . . . . 0.0 112.176 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 10.8 m-85 -133.04 141.99 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.468 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.54 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.37 137.09 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 125.1 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.9 139.32 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 111.448 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.39 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.041 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.05 120.66 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.611 0.243 . . . . 0.0 110.474 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' K' K ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' C' ' 3' ' ' ILE . 48.9 m -129.62 68.24 80.2 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 37.2 Cg_endo -66.01 145.49 79.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.559 2.173 . . . . 0.0 112.172 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 10.1 m-85 -133.16 142.35 48.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.818 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.468 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.7 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.735 0.302 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.571 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.51 37.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.419 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.88 137.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 111.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.55 125.9 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.27 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 104.57 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.58 41.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.599 0.238 . . . . 0.0 110.43 179.269 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' L' L ' 8' ' ' SER . . . . . 0.495 ' HB2' HD13 ' D' ' 3' ' ' ILE . 49.8 m -129.66 68.27 80.28 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.7 Cg_endo -65.96 145.66 80.47 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.534 2.156 . . . . 0.0 112.312 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 10.7 m-85 -133.43 141.99 48.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.496 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.523 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.35 140.72 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.491 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -139.9 137.06 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.66 125.91 18.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.392 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.24 35.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.458 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 104.53 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.62 41.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.569 0.223 . . . . 0.0 110.436 179.256 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' M' M ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' E' ' 3' ' ' ILE . 48.9 m -129.62 68.26 80.22 Favored Pre-proline 0 CA--C 1.528 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.2 Cg_endo -65.8 145.37 80.59 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.151 . . . . 0.0 112.229 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 10.7 m-85 -133.76 141.14 47.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.584 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.75 37.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.53 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -140.24 137.12 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.405 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.62 125.63 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.35 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.8 139.26 36.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 111.498 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.59 104.34 6.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.74 120.64 41.51 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.457 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' N' N ' 8' ' ' SER . . . . . 0.468 ' HB2' HD13 ' F' ' 3' ' ' ILE . 44.2 m -129.78 68.08 80.16 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.6 Cg_endo -65.73 145.61 81.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.555 2.17 . . . . 0.0 112.289 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.0 m-85 -133.73 141.43 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.584 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.52 140.75 37.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.647 -179.404 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -140.32 136.99 37.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.319 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.74 124.73 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.378 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.29 139.05 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.442 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 106.54 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -115.96 120.43 39.14 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.528 179.364 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' O' O ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' G' ' 3' ' ' ILE . 38.4 m -128.83 67.87 78.24 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.5 Cg_endo -65.36 145.68 83.85 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.581 2.187 . . . . 0.0 112.204 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.0 m-85 -134.47 142.01 46.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.696 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.423 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.59 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.452 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt -138.97 137.58 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.28 125.09 18.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.454 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.32 139.16 35.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.616 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.625 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.95 108.08 9.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.726 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.03 120.72 40.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.546 179.465 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.485 ' HB2' HD13 ' H' ' 3' ' ' ILE . 49.8 m -130.01 70.51 82.14 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.8 Cg_endo -67.53 144.68 67.81 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.515 2.143 . . . . 0.0 112.335 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' H' ' 3' ' ' ILE . 12.3 m-85 -134.32 141.26 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.54 37.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.5 mt -138.53 137.35 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.26 126.48 21.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.306 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.42 139.57 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.67 6.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.697 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.83 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.55 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -129.02 70.85 81.86 Favored Pre-proline 0 N--CA 1.456 -0.138 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.3 Cg_endo -68.19 144.31 62.41 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.591 2.194 . . . . 0.0 112.127 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' N ' HG21 ' I' ' 2' ' ' THR . 19.7 m-85 -134.0 142.0 47.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.568 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.729 0.3 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.28 37.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.546 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mt -137.9 137.45 44.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.05 19.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.241 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.516 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 140.09 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 111.889 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 103.23 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.646 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.7 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.475 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -128.75 70.08 80.45 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.81 145.21 74.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.425 2.083 . . . . 0.0 112.146 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 17.4 m-85 -133.88 139.91 46.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.027 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.44 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt -137.72 137.3 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.75 126.22 20.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.79 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 111.944 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.2 120.93 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.118 -0.233 . . . . 0.0 110.469 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -129.33 69.91 81.47 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -66.98 145.2 73.11 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.539 ' H ' HG21 ' K' ' 2' ' ' THR . 17.6 m-85 -133.45 139.01 46.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.592 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.746 0.307 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.11 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.337 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 mt -137.68 137.33 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 125.98 19.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.271 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.32 139.68 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.602 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.11 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.728 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.07 120.85 42.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.562 0.22 . . . . 0.0 110.541 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.36 69.88 81.47 Favored Pre-proline 0 C--O 1.231 0.105 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.79 145.46 75.1 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.15 . . . . 0.0 112.116 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.609 ' H ' HG21 ' L' ' 2' ' ' THR . 16.4 m-85 -133.22 137.6 46.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.952 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.661 0.267 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.48 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.377 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' M' ' 10' ' ' TYR . 34.0 mt -138.04 137.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.68 126.18 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.546 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.55 33.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 111.927 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.602 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.16 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.677 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.93 42.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.559 0.219 . . . . 0.0 110.541 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -129.32 69.81 81.4 Favored Pre-proline 0 N--CA 1.456 -0.165 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.99 145.25 73.22 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 111.95 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.544 ' H ' HG21 ' M' ' 2' ' ' THR . 16.9 m-85 -132.89 138.89 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.521 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.39 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.372 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' N' ' 10' ' ' TYR . 35.8 mt -138.08 137.41 44.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 126.12 19.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.252 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.56 139.64 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.911 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.37 103.01 5.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.785 179.515 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 121.05 43.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.635 0.255 . . . . 0.0 110.436 179.194 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -129.79 69.42 81.58 Favored Pre-proline 0 N--CA 1.457 -0.113 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.965 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 38.5 Cg_endo -66.69 145.39 75.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.509 2.139 . . . . 0.0 111.903 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.505 ' H ' HG21 ' N' ' 2' ' ' THR . 16.0 m-85 -132.55 138.12 47.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.035 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.5 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.762 0.315 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.33 37.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.462 HD11 ' HE1' ' O' ' 10' ' ' TYR . 42.6 mt -137.78 137.31 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 126.02 19.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.544 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 139.57 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.834 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 102.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.7 179.428 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.85 42.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.678 0.275 . . . . 0.0 110.447 179.338 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -129.71 69.85 81.7 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.2 Cg_endo -67.55 145.23 69.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.377 2.051 . . . . 0.0 111.735 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.426 ' H ' HG21 ' O' ' 2' ' ' THR . 14.7 m-85 -131.85 138.54 48.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.7 0.286 . . . . 0.0 111.185 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 1' ' ' TYR . . . . . 0.442 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.714 0.293 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.46 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' P' ' 8' ' ' SER . 41.1 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.49 . . . . 0.0 111.349 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.16 18.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.02 139.06 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 111.693 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.64 103.17 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.579 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.97 120.82 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.481 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -129.67 69.07 81.33 Favored Pre-proline 0 C--O 1.231 0.119 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.726 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.3 Cg_endo -66.96 143.06 64.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.356 2.038 . . . . 0.0 111.667 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -128.94 138.72 52.15 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.879 0.371 . . . . 0.0 111.533 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.855 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.598 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.81 140.61 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.398 -179.802 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -137.45 136.99 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.246 0.546 . . . . 0.0 111.566 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 122.26 15.66 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.515 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.5 139.35 36.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.587 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 104.47 7.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.03 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.0 120.8 41.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.615 0.245 . . . . 0.0 110.5 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 36.4 m -129.3 69.98 81.48 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 41.6 Cg_endo -67.95 145.43 67.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.462 2.108 . . . . 0.0 112.053 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.7 m-85 -131.17 141.87 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.194 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.779 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.64 37.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.297 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -137.96 137.21 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.457 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.28 123.56 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.32 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.49 139.65 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 103.91 6.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.964 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.8 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.511 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -129.36 70.3 81.7 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.709 0.29 . . . . 0.0 110.796 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 44.6 Cg_endo -68.92 145.25 61.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 19.4 m-85 -131.44 142.13 49.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.788 0.327 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.539 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.85 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.53 137.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.426 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 123.71 16.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.256 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.67 139.6 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.392 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.53 103.67 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.58 120.91 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.464 179.463 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -129.7 69.83 81.68 Favored Pre-proline 0 CA--C 1.528 0.102 0 CA-C-O 120.704 0.288 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 45.5 Cg_endo -68.72 145.36 62.98 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.466 2.111 . . . . 0.0 112.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.592 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 19.7 m-85 -131.81 142.3 49.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.609 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.59 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.448 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.52 137.06 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.474 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 123.72 16.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.285 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.81 139.58 34.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.389 . . . . 0.0 111.456 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.58 104.1 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.898 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.01 120.88 43.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.51 179.577 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -129.6 69.68 81.54 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 43.2 Cg_endo -68.36 145.3 65.04 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.597 2.198 . . . . 0.0 112.23 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 18.4 m-85 -132.26 142.17 49.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.544 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.62 37.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -139.76 137.05 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.64 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.181 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.1 139.62 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.84 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.34 120.62 42.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.588 0.233 . . . . 0.0 110.453 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -129.71 69.77 81.66 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 43.4 Cg_endo -68.25 145.59 66.65 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 112.192 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.521 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -132.2 141.86 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.756 0.312 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.505 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.72 37.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.564 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.77 137.15 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.81 122.76 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.327 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.35 139.69 37.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.943 0.402 . . . . 0.0 111.472 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.641 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.82 104.17 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.901 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.01 120.56 41.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.582 179.488 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 44.8 m -129.5 69.33 81.29 Favored Pre-proline 0 CA--C 1.528 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 40.6 Cg_endo -67.61 145.85 71.49 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.672 2.248 . . . . 0.0 112.201 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.5 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 18.8 m-85 -133.04 141.98 48.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.749 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.652 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.62 140.74 37.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.608 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.99 137.05 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.55 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -140.55 123.7 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.135 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.7 139.58 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.601 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.651 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.94 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.691 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.51 41.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.649 0.262 . . . . 0.0 110.403 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 39.8 m -129.62 69.67 81.55 Favored Pre-proline 0 CA--C 1.528 0.117 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 39.8 Cg_endo -67.72 145.76 70.49 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.462 ' HE1' HD11 ' G' ' 3' ' ' ILE . 20.3 m-85 -133.25 142.1 48.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.652 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.87 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.434 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mt -139.48 137.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.339 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.05 123.74 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.152 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.54 35.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.605 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.651 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.37 107.56 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.99 120.66 40.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' P' P ' 8' ' ' SER . . . . . 0.417 ' HB2' HD13 ' H' ' 3' ' ' ILE . 42.6 m -129.94 71.59 82.14 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.58 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 49.5 Cg_endo -69.41 145.25 58.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.593 2.196 . . . . 0.0 112.173 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' H' ' 3' ' ' ILE . 21.7 m-85 -133.91 141.56 47.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 140.35 38.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.355 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -138.86 137.3 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.08 127.27 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.615 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.49 139.19 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.58 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.951 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.06 120.86 43.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.418 179.265 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 69.78 81.47 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.2 Cg_endo -68.04 141.69 53.87 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.517 2.144 . . . . 0.0 112.148 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.537 ' N ' HG21 ' I' ' 2' ' ' THR . 11.8 m-85 -130.56 142.81 50.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.695 0.283 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.25 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.843 0.354 . . . . 0.0 111.449 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.15 136.97 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.5 127.19 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.276 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ALA . . . . . 0.571 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.61 139.5 33.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 111.91 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 102.89 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.928 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.51 120.68 42.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.78 69.48 81.59 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.2 Cg_endo -66.8 145.05 73.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.341 2.028 . . . . 0.0 112.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.518 ' N ' HG21 ' J' ' 2' ' ' THR . 11.6 m-85 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 1' ' ' TYR . . . . . 0.536 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.708 0.29 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.25 137.13 44.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.0 126.94 20.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' ALA . . . . . 0.561 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.45 139.41 33.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.367 . . . . 0.0 111.922 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 102.97 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.8 120.97 43.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.041 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 68.63 81.07 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' PRO . . . . . 0.564 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.9 144.89 78.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.441 2.094 . . . . 0.0 111.98 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' K' ' 2' ' ' THR . 11.3 m-85 -132.84 139.61 47.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 1' ' ' TYR . . . . . 0.536 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.31 37.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.344 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.405 HD11 ' CE1' ' L' ' 10' ' ' TYR . 24.6 mt -138.25 137.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 126.62 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.256 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.38 139.52 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 111.896 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.16 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.95 121.02 43.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.02 68.61 81.13 Favored Pre-proline 0 C--N 1.333 -0.125 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 9' ' ' PRO . . . . . 0.564 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -66.08 144.98 77.8 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.414 2.076 . . . . 0.0 111.95 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 11.2 m-85 -132.32 139.59 48.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 11' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 1' ' ' TYR . . . . . 0.501 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.25 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.384 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' M' ' 10' ' ' TYR . 32.2 mt -138.18 137.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 126.92 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.45 139.4 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.872 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 6' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.2 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.891 179.633 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.27 120.85 42.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.015 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.19 68.81 81.54 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.61 145.06 74.85 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.374 2.049 . . . . 0.0 111.828 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.47 ' H ' HG21 ' M' ' 2' ' ' THR . 10.5 m-85 -132.11 139.21 48.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 11' ' ' SER . . . . . 0.432 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.707 0.289 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.2 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 3' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.4 mt -138.14 137.16 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.95 126.52 20.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.36 139.39 33.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 111.834 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.14 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.007 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.06 120.82 42.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 69.05 81.89 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 9' ' ' PRO . . . . . 0.532 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 41.6 Cg_endo -67.24 145.1 71.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.362 2.041 . . . . 0.0 111.681 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.416 ' H ' HG21 ' N' ' 2' ' ' THR . 10.4 m-85 -131.69 140.01 49.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.04 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 1' ' ' TYR . . . . . 0.466 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.71 0.29 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.08 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.363 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 3' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' O' ' 10' ' ' TYR . 28.6 mt -138.33 137.12 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.042 0.449 . . . . 0.0 111.25 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.13 126.69 20.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.304 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.4 139.24 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 103.42 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.891 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.91 42.56 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.365 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 67.9 80.35 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.045 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' F' ' 9' ' ' PRO . 39.1 Cg_endo -66.25 144.64 75.44 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.39 2.06 . . . . 0.0 111.591 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -130.93 139.99 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.883 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' P' ' 10' ' ' TYR . 30.9 mt -137.55 136.53 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.15 0.5 . . . . 0.0 111.371 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.88 125.64 19.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.514 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 5' ' ' ALA . . . . . 0.549 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.18 138.87 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.698 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.81 103.12 6.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.833 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 7' ' ' LEU . . . . . 0.657 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.357 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 68.11 80.81 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.783 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 9' ' ' PRO . . . . . 0.5 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 42.2 Cg_endo -66.65 142.72 65.33 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.34 2.027 . . . . 0.0 111.587 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -128.28 139.52 52.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.887 0.375 . . . . 0.0 111.569 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.877 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.729 0.3 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 2' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.32 140.68 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 -179.74 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -137.98 136.78 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 111.628 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.56 121.63 14.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.64 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.08 139.24 39.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 111.517 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 6' ' ' LEU . . . . . 0.615 ' HG ' ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -131.73 104.9 7.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.219 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.72 120.89 42.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.9 68.23 80.5 Favored Pre-proline 0 C--O 1.231 0.107 0 CA-C-O 120.672 0.272 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 9' ' ' PRO . . . . . 0.55 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.5 Cg_endo -66.63 145.08 74.79 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.415 2.077 . . . . 0.0 112.059 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 11.1 m-85 -130.55 143.39 50.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 11' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 1' ' ' TYR . . . . . 0.505 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.794 0.33 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 2' ' ' THR . . . . . 0.518 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.67 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.431 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -138.5 137.11 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 124.04 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.344 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.08 139.43 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 111.289 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 104.22 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.2 120.8 43.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.386 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.49 68.72 81.74 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.669 0.271 . . . . 0.0 110.999 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 9' ' ' PRO . . . . . 0.55 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 41.0 Cg_endo -67.76 145.29 68.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.546 2.164 . . . . 0.0 112.073 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 11.0 m-85 -130.89 144.37 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 11' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 1' ' ' TYR . . . . . 0.596 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.482 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.82 137.08 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.97 16.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.46 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 6' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.06 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' K' K ' 7' ' ' LEU . . . . . 0.712 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.87 120.79 43.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.474 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.24 68.77 81.55 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.695 0.283 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -67.84 145.38 68.43 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.472 2.115 . . . . 0.0 112.102 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 10' ' ' TYR . . . . . 0.52 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 11.1 m-85 -131.07 143.1 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.182 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 11' ' ' SER . . . . . 0.529 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 1' ' ' TYR . . . . . 0.596 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.64 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.05 137.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.375 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.78 123.98 16.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.98 139.43 36.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 104.21 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' L' L ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.08 120.96 43.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.361 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.3 67.65 80.23 Favored Pre-proline 0 CA--C 1.529 0.136 0 CA-C-O 120.624 0.249 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 9' ' ' PRO . . . . . 0.598 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.5 Cg_endo -66.55 145.59 76.88 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.566 2.177 . . . . 0.0 112.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 11.2 m-85 -132.05 143.53 50.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 1' ' ' TYR . . . . . 0.709 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 2' ' ' THR . . . . . 0.47 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.72 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.395 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.0 137.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.125 0.488 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -140.74 124.57 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.3 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.45 139.58 35.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.281 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' M' M ' 6' ' ' LEU . . . . . 0.626 ' O ' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 104.01 6.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' M' M ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.35 120.67 42.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.239 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.56 68.69 81.77 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 9' ' ' PRO . . . . . 0.598 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 38.2 Cg_endo -67.23 145.64 73.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.575 2.183 . . . . 0.0 112.14 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 11.2 m-85 -131.93 143.2 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' M' M ' 11' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 2' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.64 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.564 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.28 137.06 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.114 0.483 . . . . 0.0 111.575 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 4' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -140.84 124.36 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.427 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.09 139.44 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 111.377 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' N' N ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 104.67 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.65 41.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.296 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 67.72 79.9 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.1 Cg_endo -66.36 145.48 77.67 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.093 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 10' ' ' TYR . . . . . 0.489 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.4 m-85 -132.21 142.94 49.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' N' N ' 11' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' O' O ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.736 0.303 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 2' ' ' THR . . . . . 0.5 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.76 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.732 -179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mt -141.2 136.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.087 0.47 . . . . 0.0 111.515 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 4' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.75 124.42 17.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.392 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.51 36.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.444 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' O' O ' 6' ' ' LEU . . . . . 0.607 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.0 104.69 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.068 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' O' O ' 7' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.29 120.63 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.601 0.239 . . . . 0.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.05 68.21 80.65 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' O' O ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 37.2 Cg_endo -66.6 145.62 76.74 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.594 2.196 . . . . 0.0 112.018 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' O' O ' 10' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.8 m-85 -132.77 142.74 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' O' O ' 11' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 1' ' ' TYR . . . . . 0.629 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.77 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.368 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.23 137.51 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.16 123.72 17.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.302 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.83 139.35 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.695 0.283 . . . . 0.0 111.52 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 6' ' ' LEU . . . . . 0.607 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 107.21 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 7' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.26 120.71 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.458 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.75 70.2 82.48 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 9' ' ' PRO . . . . . 0.575 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 46.9 Cg_endo -68.9 145.17 61.29 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.557 2.172 . . . . 0.0 112.14 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 10' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.0 m-85 -132.8 143.13 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 11' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.45 38.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.374 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' I' ' 8' ' ' SER . 36.5 mt -139.08 134.28 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.02 119.19 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.9 30.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.39 136.51 48.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.26 121.42 15.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -123.54 70.94 47.09 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.923 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.4 Cg_endo -66.53 141.64 61.79 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.62 2.213 . . . . 0.0 112.002 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' N ' HG21 ' I' ' 2' ' ' THR . 8.2 m-85 -133.72 140.97 47.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 23.0 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.49 37.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.515 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 32.6 mt -138.34 134.87 44.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.29 118.86 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.862 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.52 137.79 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.294 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.6 136.5 47.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.819 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.17 121.25 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.769 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -123.48 70.63 45.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.865 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.1 Cg_endo -64.43 145.41 87.88 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.353 2.035 . . . . 0.0 111.916 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.643 ' N ' HG21 ' J' ' 2' ' ' THR . 7.0 m-85 -136.73 138.41 40.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.545 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 18.0 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.48 37.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' K' ' 8' ' ' SER . 37.0 mt -138.39 134.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.579 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.35 118.91 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.003 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.46 138.14 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.693 0.282 . . . . 0.0 111.271 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.67 136.55 47.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.83 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.856 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.39 14.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.726 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 69.96 49.14 Favored Pre-proline 0 C--O 1.233 0.187 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.904 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.636 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.1 Cg_endo -64.79 144.43 83.53 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.566 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -134.81 140.01 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.618 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 17.3 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.724 0.297 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.491 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -138.17 134.63 44.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.38 118.87 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.864 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.41 137.61 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.701 0.286 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.39 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.725 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.856 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.34 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.758 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -124.3 70.19 52.83 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.929 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.636 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 33.2 Cg_endo -64.82 144.99 85.23 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.263 1.976 . . . . 0.0 111.956 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' L' ' 2' ' ' THR . 7.0 m-85 -134.99 138.48 44.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.618 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 13.2 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.25 37.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.6 mt -138.08 134.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.25 118.75 11.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.798 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.62 137.64 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.57 48.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.794 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.49 121.47 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m -124.08 69.62 49.38 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.618 0.246 . . . . 0.0 111.029 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 31.2 Cg_endo -64.22 145.1 88.33 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.351 2.034 . . . . 0.0 111.718 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' M' ' 2' ' ' THR . 6.6 m-85 -135.48 138.61 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 10.7 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.561 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.658 0.266 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 139.98 37.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' N' ' 8' ' ' SER . 40.1 mt -137.82 134.32 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.57 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.58 137.74 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.5 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.735 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.5 121.35 14.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.24 69.46 50.61 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 32.8 Cg_endo -64.34 144.95 87.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.356 2.038 . . . . 0.0 111.652 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.575 ' H ' HG21 ' N' ' 2' ' ' THR . 6.2 m-85 -134.74 138.01 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 13.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.517 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.2 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.528 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.1 mt -137.69 133.99 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.38 118.72 11.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.819 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.483 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.61 137.88 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.764 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.33 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.872 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.38 69.75 52.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-O 120.631 0.253 . . . . 0.0 111.046 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -65.26 143.24 76.5 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.342 2.028 . . . . 0.0 111.544 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.457 ' H ' HG21 ' O' ' 2' ' ' THR . 6.0 m-85 -132.67 139.41 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 14.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.517 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.2 38.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.339 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' P' ' 8' ' ' SER . 46.9 mt -137.37 133.25 46.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.15 118.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.518 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.68 138.11 30.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.13 47.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.03 121.42 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.56 69.5 54.05 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.0 Cg_endo -64.81 141.84 73.48 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.359 2.039 . . . . 0.0 111.601 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.08 136.02 48.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.913 0.387 . . . . 0.0 111.559 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 9.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.854 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.607 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.79 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.381 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.8 mt -139.89 134.01 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.115 0.483 . . . . 0.0 111.715 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.06 119.39 12.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.851 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.67 138.27 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.46 135.85 47.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.1 121.1 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.453 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' A' ' 3' ' ' ILE . 21.1 m -124.15 69.64 50.07 Favored Pre-proline 0 C--O 1.232 0.139 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.5 Cg_endo -64.76 144.72 84.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.316 2.011 . . . . 0.0 112.014 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.5 m-85 -132.66 142.14 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.289 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.753 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.758 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.722 0.296 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.643 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.36 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 111.425 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -139.13 134.65 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.269 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.33 119.54 12.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.582 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.91 138.32 31.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.647 0.261 . . . . 0.0 111.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.39 48.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.854 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 120.93 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.3 m -124.22 70.08 51.8 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.612 0.244 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.7 Cg_endo -65.69 144.72 79.16 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.366 2.044 . . . . 0.0 112.098 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.554 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.4 m-85 -133.26 142.28 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.753 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.4 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.586 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.768 0.318 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.566 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.447 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.09 135.15 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.59 119.36 11.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -141.97 137.81 31.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.26 136.33 48.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.879 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.04 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.667 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' C' ' 3' ' ' ILE . 18.6 m -124.59 69.57 54.45 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 33.9 Cg_endo -65.29 145.13 82.96 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.45 2.1 . . . . 0.0 112.051 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.3 m-85 -133.96 141.86 47.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.735 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 12.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.655 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.761 0.315 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.46 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.444 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -139.58 135.15 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.284 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.5 119.6 12.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.772 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -141.9 137.95 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.694 0.283 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.31 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.799 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.93 120.92 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' D' ' 3' ' ' ILE . 18.1 m -124.38 69.87 53.04 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.6 Cg_endo -65.29 145.15 82.99 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.485 2.123 . . . . 0.0 112.174 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.4 m-85 -134.33 141.64 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.735 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.663 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.25 140.51 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.536 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.01 135.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.309 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.5 119.44 11.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.691 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.03 137.82 31.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.678 0.275 . . . . 0.0 111.258 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.688 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.41 136.55 48.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.971 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.81 120.91 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.724 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.567 ' HB2' HD13 ' E' ' 3' ' ' ILE . 19.4 m -124.45 69.56 53.04 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.854 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.3 Cg_endo -65.06 145.15 84.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.459 2.106 . . . . 0.0 112.052 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.561 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.8 m-85 -134.37 141.24 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 16.4 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.663 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.575 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.73 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.431 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -140.58 135.43 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.088 0.47 . . . . 0.0 111.376 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.5 119.46 11.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.08 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.59 0.233 . . . . 0.0 111.332 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.24 47.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.95 13.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.687 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' F' ' 3' ' ' ILE . 19.0 m -124.34 69.31 51.36 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.655 0.264 . . . . 0.0 110.797 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.554 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 32.2 Cg_endo -64.7 145.68 87.18 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.46 2.107 . . . . 0.0 112.035 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.8 m-85 -134.97 141.2 46.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 17.6 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.594 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.724 0.297 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.25 140.7 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.658 -179.373 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mt -141.11 135.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.527 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.62 119.46 11.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.763 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.22 137.55 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 0.0 111.263 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.31 47.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.91 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.685 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' G' ' 3' ' ' ILE . 16.2 m -124.45 69.53 52.95 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.646 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.0 Cg_endo -64.84 145.45 86.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.512 2.141 . . . . 0.0 112.17 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.5 m-85 -135.57 141.54 45.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 19.4 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.588 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.55 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.433 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 mt -139.84 136.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.225 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.31 119.6 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 137.37 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.583 0.23 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.04 136.37 48.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.702 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.18 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.57 ' HB2' HD13 ' H' ' 3' ' ' ILE . 17.2 m -125.14 71.17 62.82 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.646 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.5 Cg_endo -66.28 144.6 75.11 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.488 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.0 m-85 -135.27 140.57 45.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 20.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.2 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' I' ' 8' ' ' SER . 39.3 mt -139.3 133.57 39.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.94 119.35 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.799 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.69 31.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.84 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.43 121.45 15.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -123.64 70.41 46.74 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.901 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.612 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -65.99 142.08 66.98 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.544 2.163 . . . . 0.0 112.181 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' N ' HG21 ' I' ' 2' ' ' THR . 7.1 m-85 -134.67 141.06 46.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.566 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.3 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' J' ' 8' ' ' SER . 38.0 mt -138.48 134.48 43.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.28 118.9 11.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.09 30.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.265 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.45 136.51 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.859 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.28 121.13 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.41 70.18 43.93 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.626 0.251 . . . . 0.0 110.936 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 30.7 Cg_endo -64.28 145.18 88.19 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.339 2.026 . . . . 0.0 112.135 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.628 ' N ' HG21 ' J' ' 2' ' ' THR . 6.8 m-85 -136.66 140.14 42.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.6 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.701 0.286 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.34 37.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.459 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' K' ' 8' ' ' SER . 41.0 mt -138.43 134.16 43.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.036 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.581 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.93 11.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.747 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.401 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.48 137.03 30.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 0.0 111.258 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.24 136.33 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.76 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.859 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.4 14.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.58 69.73 44.53 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-O 120.666 0.27 . . . . 0.0 111.069 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.634 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 30.5 Cg_endo -63.87 144.88 89.58 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.325 2.017 . . . . 0.0 111.895 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.575 ' N ' HG21 ' K' ' 2' ' ' THR . 6.4 m-85 -136.3 139.57 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.848 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.502 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.585 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.809 0.337 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.38 140.23 37.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.401 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' L' ' 8' ' ' SER . 45.2 mt -138.35 134.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.34 118.73 11.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.736 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.47 137.14 30.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.676 0.275 . . . . 0.0 111.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.3 136.39 48.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.789 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.41 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -123.7 69.6 45.42 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 32.2 Cg_endo -64.46 144.65 85.94 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.336 2.024 . . . . 0.0 111.843 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 6.1 m-85 -135.17 139.79 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.991 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.585 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.647 0.26 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.27 37.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.9 mt -138.19 134.35 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.47 118.96 11.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.864 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.44 137.12 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.693 0.282 . . . . 0.0 111.337 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.48 47.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.789 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.55 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 43.1 m -123.87 69.35 46.55 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.969 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 32.0 Cg_endo -64.03 144.59 87.99 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.331 2.021 . . . . 0.0 111.748 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' M' ' 2' ' ' THR . 6.0 m-85 -135.34 138.09 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.527 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.579 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.675 0.274 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.15 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' N' ' 8' ' ' SER . 42.6 mt -138.06 133.83 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.45 118.66 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 137.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.272 . . . . 0.0 111.297 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.63 48.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.825 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.772 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.39 14.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.874 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -124.12 69.26 48.93 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 30.2 Cg_endo -63.7 144.98 90.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.823 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.62 ' H ' HG21 ' N' ' 2' ' ' THR . 6.0 m-85 -135.56 137.89 42.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.184 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.816 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.725 0.298 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.14 37.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' O' ' 8' ' ' SER . 48.2 mt -138.05 133.78 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -141.38 118.76 11.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.86 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.69 137.3 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.662 0.267 . . . . 0.0 111.375 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.58 48.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.709 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.53 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -124.25 68.81 49.18 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 31.6 Cg_endo -63.71 144.7 89.92 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.372 2.048 . . . . 0.0 111.548 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' O' ' 2' ' ' THR . 5.6 m-85 -134.74 139.3 45.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.031 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.625 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.977 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.697 0.284 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 139.89 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.399 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' P' ' 8' ' ' SER . 51.3 mt -137.42 133.02 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.313 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.94 118.52 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.51 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.69 137.66 30.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.462 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.27 47.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.867 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.703 HD21 HD23 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.91 121.52 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.721 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.46 68.09 49.48 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.979 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 31.5 Cg_endo -63.42 142.55 85.62 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.339 2.026 . . . . 0.0 111.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.402 ' H ' HG21 ' P' ' 2' ' ' THR . 5.3 m-85 -132.1 137.22 47.65 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.542 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.61 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -139.77 134.11 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.097 0.475 . . . . 0.0 111.546 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.32 119.5 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.819 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 5' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.65 137.8 32.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.562 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.55 136.26 47.69 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.028 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.31 120.93 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.433 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 3' ' ' ILE . 50.3 m -123.69 68.71 43.07 Favored Pre-proline 0 C--O 1.232 0.162 0 CA-C-O 120.561 0.22 . . . . 0.0 110.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 30.4 Cg_endo -63.72 145.03 90.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.372 2.048 . . . . 0.0 112.053 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.566 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 6.3 m-85 -133.41 141.86 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.642 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.519 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.628 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.68 37.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -139.31 134.71 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.329 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.85 12.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.659 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.7 137.76 31.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.197 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.633 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.33 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.804 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.716 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.08 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.529 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.3 m -124.3 69.18 50.61 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-O 120.657 0.265 . . . . 0.0 110.925 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 31.9 Cg_endo -64.77 145.21 85.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.507 2.138 . . . . 0.0 112.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.56 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.4 m-85 -134.57 141.71 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.657 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.727 0.299 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.575 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.55 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.327 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.61 135.16 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.371 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.78 119.59 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.657 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.76 137.51 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.661 0.267 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.42 48.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.716 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.98 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.524 ' HB2' HD13 ' C' ' 3' ' ' ILE . 50.5 m -124.49 68.78 51.61 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 120.614 0.245 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 31.4 Cg_endo -64.48 145.41 87.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.431 2.087 . . . . 0.0 112.178 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.564 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 6.9 m-85 -134.45 141.74 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 6.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.683 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.685 0.278 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.7 140.48 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.365 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -139.76 135.46 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.64 119.68 12.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.01 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.671 0.272 . . . . 0.0 111.183 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.25 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.887 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.89 121.02 13.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.507 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.9 m -124.17 68.7 48.11 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.93 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.19 145.21 88.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.45 2.1 . . . . 0.0 112.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.0 m-85 -134.58 141.77 46.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.602 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 7.1 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.705 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.71 0.29 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.59 140.32 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.481 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 mt -139.74 135.28 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.65 119.6 11.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.723 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.08 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.601 0.238 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.707 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.38 47.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.899 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.68 13.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.512 ' HB2' HD13 ' E' ' 3' ' ' ILE . 50.7 m -123.95 68.69 45.78 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.71 0.291 . . . . 0.0 110.879 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.631 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 30.6 Cg_endo -64.16 145.33 88.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.601 2.201 . . . . 0.0 112.193 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.0 m-85 -135.21 141.14 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.799 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.705 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.62 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.51 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.43 135.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.54 119.67 12.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.652 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.614 0.245 . . . . 0.0 111.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.727 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.43 47.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.81 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.728 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.508 ' HB2' HD13 ' F' ' 3' ' ' ILE . 50.0 m -124.2 68.77 48.63 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.16 145.75 89.57 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.557 2.171 . . . . 0.0 112.118 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.1 m-85 -135.83 140.72 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.5 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.3 135.29 31.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.105 0.479 . . . . 0.0 111.439 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.61 119.64 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.712 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.9 137.18 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.715 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.27 47.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.877 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.88 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.518 ' HB2' HD13 ' G' ' 3' ' ' ILE . 49.6 m -124.49 68.7 51.46 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.677 0.275 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.653 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.2 Cg_endo -64.39 145.4 88.03 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.46 2.107 . . . . 0.0 112.223 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' G' ' 3' ' ' ILE . 7.4 m-85 -135.5 141.38 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.547 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 2' ' ' THR . . . . . 0.402 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.76 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.529 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -140.7 135.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.35 119.73 12.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.48 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.569 0.224 . . . . 0.0 111.317 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.703 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.52 48.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.16 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.527 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.0 m -124.93 70.44 59.72 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.653 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.3 Cg_endo -65.69 145.04 80.31 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.598 2.199 . . . . 0.0 112.375 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' H' ' 3' ' ' ILE . 8.2 m-85 -136.17 141.14 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.685 0.279 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.24 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.2 mt -138.58 133.36 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.92 118.98 11.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.24 31.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.15 136.58 48.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.812 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.69 121.33 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -123.81 70.42 48.48 Favored Pre-proline 0 C--O 1.232 0.154 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.606 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.8 Cg_endo -66.58 142.0 62.96 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.172 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.669 ' N ' HG21 ' I' ' 2' ' ' THR . 9.7 m-85 -134.68 140.58 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.596 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.739 0.304 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 39.4 mt -138.06 133.92 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.366 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.3 118.98 11.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.837 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.44 138.15 30.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.411 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.21 136.65 48.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.717 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.833 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.99 121.16 14.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -123.76 70.27 47.68 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.606 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.8 Cg_endo -65.24 144.74 82.06 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.216 1.944 . . . . 0.0 112.106 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.653 ' N ' HG21 ' J' ' 2' ' ' THR . 9.1 m-85 -136.56 139.43 42.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.802 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.583 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.685 0.279 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.13 37.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.318 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' K' ' 8' ' ' SER . 40.8 mt -137.79 133.63 45.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.83 11.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.714 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.39 138.35 31.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.651 0.262 . . . . 0.0 111.332 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 136.64 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.852 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.19 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.735 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -123.9 69.67 47.69 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.7 Cg_endo -64.98 144.86 84.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.387 2.058 . . . . 0.0 112.071 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.578 ' N ' HG21 ' K' ' 2' ' ' THR . 8.7 m-85 -135.86 139.35 43.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.32 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.256 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.8 mt -138.14 133.9 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.992 0.425 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.39 118.84 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.46 138.14 30.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.348 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.63 48.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.763 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.43 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -123.95 69.35 47.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.968 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 35.4 Cg_endo -65.17 143.82 79.16 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.366 2.044 . . . . 0.0 111.912 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' L' ' 2' ' ' THR . 8.5 m-85 -134.59 138.91 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.32 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.349 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.9 mt -137.96 133.68 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.3 118.78 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.757 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.51 138.18 30.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.349 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.57 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.813 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.26 121.4 14.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.4 69.66 52.77 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.944 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 32.8 Cg_endo -64.74 144.72 84.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.464 2.109 . . . . 0.0 111.871 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.6 ' H ' HG21 ' M' ' 2' ' ' THR . 8.1 m-85 -135.5 138.36 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.15 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.828 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.548 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.691 0.281 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.434 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' N' ' 8' ' ' SER . 43.1 mt -138.0 133.4 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.79 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.63 138.52 30.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.641 0.258 . . . . 0.0 111.422 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.73 48.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.802 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.38 14.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.3 68.76 49.56 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.971 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.72 144.21 83.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.385 2.057 . . . . 0.0 111.663 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.543 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -134.31 138.46 44.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.124 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.548 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.3 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.2 mt -137.86 133.35 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.34 118.66 11.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.76 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.62 138.4 30.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.359 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 136.62 47.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.834 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.756 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.26 121.44 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -124.46 68.89 51.62 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.931 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.2 Cg_endo -64.74 144.36 83.54 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.36 2.04 . . . . 0.0 111.494 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.528 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.04 139.16 45.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.151 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.936 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.749 0.309 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.25 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.368 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.1 mt -137.03 133.04 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.0 118.27 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.864 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.523 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.71 138.58 30.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 0.0 111.446 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.6 136.27 47.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.45 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.749 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 68.38 52.92 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.994 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 32.8 Cg_endo -63.76 143.42 86.35 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.311 2.007 . . . . 0.0 111.675 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.461 ' H ' HG21 ' P' ' 2' ' ' THR . 6.7 m-85 -133.0 136.16 45.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.823 0.344 . . . . 0.0 111.574 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.97 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.704 0.288 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.669 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.73 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.379 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -138.74 133.66 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.144 0.497 . . . . 0.0 111.637 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.11 119.3 12.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.744 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.84 138.96 32.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.358 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.484 HD23 HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.67 136.32 47.59 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.94 121.15 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 3' ' ' ILE . 15.8 m -124.06 68.26 45.8 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.994 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.3 Cg_endo -63.91 145.18 89.93 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.357 2.038 . . . . 0.0 112.23 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.596 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.69 142.01 47.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.797 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.754 0.311 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.653 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.01 140.55 38.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.341 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -138.4 134.34 43.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.366 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.38 119.61 12.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.707 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.82 138.26 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.281 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.31 136.43 48.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.801 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.1 m -124.65 69.31 54.48 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.718 0.294 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.7 Cg_endo -65.18 145.26 83.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.517 2.144 . . . . 0.0 112.01 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.583 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.36 142.1 47.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.446 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.578 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.33 140.61 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.332 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 mt -138.87 134.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.403 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.56 119.47 11.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.671 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.99 138.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.693 0.282 . . . . 0.0 111.246 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.621 HD23 HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.12 136.22 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.792 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.98 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' C' ' 3' ' ' ILE . 16.2 m -124.64 69.48 54.77 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.849 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.7 Cg_endo -65.55 145.15 81.44 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.064 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.549 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.2 m-85 -134.34 142.08 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.678 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.679 0.276 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.36 140.57 37.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.268 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.97 135.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.989 0.423 . . . . 0.0 111.436 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.69 119.36 11.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.681 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.14 31.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.643 0.259 . . . . 0.0 111.245 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.645 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.32 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.717 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' D' ' 3' ' ' ILE . 16.5 m -124.64 68.9 53.5 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.672 0.273 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.3 Cg_endo -65.11 145.21 84.21 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.424 2.083 . . . . 0.0 112.074 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.6 m-85 -134.59 141.88 46.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.681 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.718 0.294 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.6 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.46 37.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.353 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.23 135.15 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.474 . . . . 0.0 111.41 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.58 119.35 11.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 137.88 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.627 0.251 . . . . 0.0 111.316 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.659 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.37 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 120.89 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.552 ' HB2' HD13 ' E' ' 3' ' ' ILE . 16.4 m -124.68 69.11 54.41 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.689 0.28 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.6 Cg_endo -65.31 145.43 83.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.518 2.146 . . . . 0.0 112.095 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.9 m-85 -135.08 141.84 46.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.681 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.543 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.57 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.396 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -139.88 135.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.547 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.66 119.49 11.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.635 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.03 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 111.276 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.5 136.3 47.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' F' ' 3' ' ' ILE . 16.0 m -124.38 68.97 50.95 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 31.7 Cg_endo -64.65 145.51 87.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.529 2.152 . . . . 0.0 112.085 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.501 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 9.1 m-85 -135.97 141.27 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.684 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.528 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.62 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.495 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 mt -140.48 134.84 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.079 0.466 . . . . 0.0 111.568 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.38 119.39 11.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.643 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.75 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 111.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.756 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.43 136.47 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 120.83 13.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.559 ' HB2' HD13 ' G' ' 3' ' ' ILE . 15.7 m -124.31 68.81 49.87 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.6 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 32.5 Cg_endo -64.84 145.45 86.11 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.53 2.153 . . . . 0.0 112.204 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' G' ' 3' ' ' ILE . 9.4 m-85 -135.85 141.98 44.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.684 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.81 0.338 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 2' ' ' THR . . . . . 0.461 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -138.86 140.55 38.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.343 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -139.95 134.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.43 119.74 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.683 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.28 32.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.627 0.251 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.723 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.52 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.62 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.712 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.18 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.772 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' H' ' 3' ' ' ILE . 16.0 m -124.89 70.59 59.64 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.6 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.1 Cg_endo -66.41 144.98 75.76 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.564 2.176 . . . . 0.0 112.208 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' H' ' 3' ' ' ILE . 10.6 m-85 -136.27 141.66 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.87 0.367 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.7 mt -138.54 133.97 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.591 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.2 118.96 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.38 136.04 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -130.08 136.23 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.792 0.33 . . . . 0.0 110.516 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.791 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.35 121.41 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -122.54 71.22 37.32 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -66.15 142.48 67.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.507 2.138 . . . . 0.0 112.036 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.637 ' N ' HG21 ' I' ' 2' ' ' THR . 8.7 m-85 -135.25 141.14 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.544 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.731 0.301 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.37 37.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.297 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.499 HD13 ' HB2' ' J' ' 8' ' ' SER . 35.9 mt -137.42 134.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.27 118.79 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.877 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.51 136.29 29.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.695 0.283 . . . . 0.0 111.308 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.04 136.17 48.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.551 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.844 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.36 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.873 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -122.24 70.22 31.95 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 28.7 Cg_endo -63.71 145.31 90.97 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.194 1.929 . . . . 0.0 111.949 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.642 ' N ' HG21 ' J' ' 2' ' ' THR . 7.6 m-85 -137.45 139.5 40.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.029 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.586 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.704 0.288 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.35 37.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' K' ' 8' ' ' SER . 39.2 mt -137.19 134.47 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.609 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.714 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.68 136.02 28.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.12 136.12 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.723 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.844 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.57 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -122.56 70.3 35.44 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 29.3 Cg_endo -63.91 145.26 90.01 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.315 2.01 . . . . 0.0 111.949 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.6 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -136.77 139.43 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.835 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.591 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.06 37.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -137.15 134.26 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.609 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.35 118.72 11.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.67 136.41 29.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.307 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.6 OUTLIER -131.28 136.38 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.641 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.52 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -122.69 70.09 36.32 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 110.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.573 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 31.0 Cg_endo -64.16 145.22 88.8 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.367 2.045 . . . . 0.0 111.85 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.59 ' H ' HG21 ' L' ' 2' ' ' THR . 7.4 m-85 -136.36 138.87 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.591 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.767 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 140.11 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.195 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.0 mt -136.88 134.29 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.426 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.78 136.58 28.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.558 0.218 . . . . 0.0 111.339 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.46 136.21 47.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.652 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.59 14.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.06 69.83 39.46 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.686 0.279 . . . . 0.0 111.01 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.609 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 30.3 Cg_endo -63.93 144.83 89.13 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.378 2.052 . . . . 0.0 111.879 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.593 ' H ' HG21 ' M' ' 2' ' ' THR . 7.2 m-85 -135.72 138.0 42.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.106 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.813 0.34 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.36 37.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' N' ' 8' ' ' SER . 44.1 mt -137.29 133.92 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.36 118.43 11.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.746 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.75 136.26 28.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.374 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.6 OUTLIER -131.17 136.11 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.673 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 121.53 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -123.02 69.34 37.79 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.609 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 29.8 Cg_endo -63.66 144.74 90.29 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.413 2.075 . . . . 0.0 111.761 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' N' ' 2' ' ' THR . 6.6 m-85 -135.31 137.44 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.059 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.551 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.736 0.303 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.15 37.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' O' ' 10' ' ' TYR . 47.5 mt -136.91 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.42 118.45 11.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.758 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.459 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.78 136.21 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 0.6 OUTLIER -131.3 136.28 48.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.723 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.46 14.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.85 69.48 36.45 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.985 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' H' ' 9' ' ' PRO . 31.1 Cg_endo -64.07 143.96 85.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.401 2.067 . . . . 0.0 111.671 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.537 ' H ' HG21 ' O' ' 2' ' ' THR . 6.5 m-85 -134.12 137.96 44.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.065 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.551 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.732 0.301 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.28 37.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' P' ' 10' ' ' TYR . 49.7 mt -136.58 133.57 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.049 0.452 . . . . 0.0 111.269 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.17 118.15 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.805 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.86 136.1 28.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.488 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.31 135.9 47.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.795 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.14 121.48 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -123.41 69.2 41.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.859 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.0 Cg_endo -63.71 143.09 85.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.413 2.075 . . . . 0.0 111.541 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.502 ' H ' HG21 ' P' ' 2' ' ' THR . 6.1 m-85 -132.98 134.62 44.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.578 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.637 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.68 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.93 133.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.183 0.516 . . . . 0.0 111.63 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.14 119.2 11.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.616 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 137.41 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.324 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.49 135.92 47.48 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.005 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.06 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' A' ' 3' ' ' ILE . 68.7 m -122.96 68.82 35.87 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.68 0.276 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.666 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.0 Cg_endo -64.11 144.7 87.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.421 2.081 . . . . 0.0 112.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.544 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.22 142.39 48.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.765 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.642 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.14 140.49 37.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -138.38 134.18 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.429 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.22 11.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.546 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -141.94 137.0 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.664 0.268 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.596 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.46 48.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.865 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.78 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.97 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.656 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.499 ' HB2' HD13 ' B' ' 3' ' ' ILE . 67.6 m -122.69 69.92 35.86 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.635 0.255 . . . . 0.0 110.835 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.666 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.0 Cg_endo -64.9 145.11 85.15 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.476 2.117 . . . . 0.0 112.14 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.586 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.91 141.4 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.438 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.856 0.36 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.6 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.5 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mt -138.37 135.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.446 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.53 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.95 136.12 30.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.667 0.27 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.587 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -130.98 136.18 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.681 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.06 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' C' ' 3' ' ' ILE . 68.3 m -123.07 69.65 39.14 Favored Pre-proline 0 CA--C 1.528 0.097 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 31.7 Cg_endo -64.95 145.34 85.39 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.495 2.13 . . . . 0.0 112.108 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.539 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.8 m-85 -135.07 141.7 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.574 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.713 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.59 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.42 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.52 135.17 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.43 119.31 11.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.606 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 135.81 29.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.571 0.224 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.02 136.08 48.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.783 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.71 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 121.12 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.844 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' D' ' 3' ' ' ILE . 67.3 m -123.09 69.36 38.52 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.624 0.25 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.2 Cg_endo -64.23 145.34 88.65 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.578 2.185 . . . . 0.0 112.256 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.535 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.9 m-85 -135.45 140.82 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 5.2 t . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.713 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.593 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.43 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.85 135.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.338 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.47 119.48 11.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.552 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 136.23 29.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.22 136.05 47.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.79 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 121.03 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.698 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' E' ' 3' ' ' ILE . 69.1 m -123.08 69.55 38.92 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 32.4 Cg_endo -64.76 145.31 86.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.189 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.9 m-85 -135.34 140.71 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.6 t . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.644 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.51 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.341 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -139.54 135.69 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.098 0.475 . . . . 0.0 111.451 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.75 119.29 11.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.711 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 135.94 29.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.655 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.1 135.7 47.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.72 120.93 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.669 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' F' ' 3' ' ' ILE . 67.8 m -123.17 69.32 39.3 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.663 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 29.6 Cg_endo -64.3 145.38 88.41 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.486 2.124 . . . . 0.0 112.201 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.4 m-85 -135.74 141.07 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.644 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.537 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.61 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.527 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.91 135.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.084 0.469 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.6 119.07 11.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.591 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 135.61 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 111.298 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.69 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.28 136.05 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.628 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 120.83 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.469 ' HB2' HD13 ' G' ' 3' ' ' ILE . 68.2 m -122.94 69.64 37.72 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 120.712 0.291 . . . . 0.0 110.732 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 31.0 Cg_endo -64.43 145.55 88.09 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.534 2.156 . . . . 0.0 112.204 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.4 m-85 -136.1 141.11 44.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.753 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.967 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 2' ' ' THR . . . . . 0.502 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.66 37.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.301 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.57 135.78 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.35 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.41 119.33 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.19 134.33 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.387 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.646 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -129.71 136.21 49.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.667 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.658 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.25 14.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.466 ' HB2' HD13 ' H' ' 3' ' ' ILE . 69.4 m -123.54 71.46 48.14 Favored Pre-proline 0 N--CA 1.456 -0.173 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.8 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.637 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.9 Cg_endo -66.43 145.05 75.88 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.549 2.166 . . . . 0.0 112.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.6 m-85 -136.74 140.98 43.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.11 37.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.231 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -138.83 134.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.03 119.07 11.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 135.6 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -129.25 136.38 50.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.398 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.18 121.46 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.8 70.52 38.48 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.999 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -65.92 142.83 70.55 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.533 2.155 . . . . 0.0 111.972 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' I' ' 2' ' ' THR . 8.8 m-85 -135.18 141.25 45.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.594 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 35.6 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.765 0.317 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' J' ' 10' ' ' TYR . 38.5 mt -138.02 135.32 45.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.32 118.86 11.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.805 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.54 137.15 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.33 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -131.27 136.42 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.834 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.2 121.16 14.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.4 70.56 34.35 Favored Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.86 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.627 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.5 Cg_endo -64.51 145.24 87.21 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.244 1.962 . . . . 0.0 111.812 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.603 ' N ' HG21 ' J' ' 2' ' ' THR . 7.8 m-85 -136.67 138.49 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.843 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 32.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.565 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.732 0.301 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.1 37.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.29 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' K' ' 10' ' ' TYR . 44.4 mt -137.78 134.95 45.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.33 118.68 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.72 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.53 137.01 29.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.652 0.263 . . . . 0.0 111.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -131.32 136.48 48.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.691 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.839 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.16 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.56 70.21 35.23 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.627 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 33.3 Cg_endo -64.92 145.11 85.02 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.294 1.996 . . . . 0.0 111.949 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 8.0 m-85 -136.05 138.36 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 33.8 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.546 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.24 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.299 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' L' ' 10' ' ' TYR . 44.8 mt -137.95 134.73 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.984 0.421 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.09 118.45 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.66 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.6 136.8 29.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.766 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.47 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.21 70.06 41.54 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 32.4 Cg_endo -64.75 144.31 83.32 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.347 2.031 . . . . 0.0 111.875 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 7.5 m-85 -134.62 138.06 44.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.937 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.696 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 32.2 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.539 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.741 0.305 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.17 37.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' M' ' 10' ' ' TYR . 48.6 mt -137.83 134.76 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.575 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.26 118.72 11.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.83 136.47 28.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.659 0.266 . . . . 0.0 111.391 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' F' ' 6' ' ' LEU . 0.5 OUTLIER -131.09 136.48 48.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.803 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.816 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.4 14.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.98 69.78 38.53 Favored Pre-proline 0 CA--C 1.529 0.146 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.016 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.596 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.3 Cg_endo -64.79 144.79 84.71 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.381 2.054 . . . . 0.0 111.806 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.585 ' H ' HG21 ' M' ' 2' ' ' THR . 7.8 m-85 -135.35 136.88 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.696 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 31.9 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.543 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.22 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.252 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.7 mt -137.69 134.89 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.46 118.56 11.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.762 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.83 136.78 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.371 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' E' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.85 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.37 121.41 14.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.771 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.71 69.43 34.91 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.974 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 34.7 Cg_endo -64.55 144.94 86.37 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.291 1.994 . . . . 0.0 111.7 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -135.42 136.86 41.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.637 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 27.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.899 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.744 0.307 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.18 37.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.537 HD11 ' CE1' ' O' ' 10' ' ' TYR . 46.2 mt -137.49 134.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.24 118.31 11.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.73 136.98 29.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' H' ' 6' ' ' LEU . 0.5 OUTLIER -131.35 136.42 48.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.44 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.739 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.22 69.73 40.8 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.4 Cg_endo -65.18 144.82 82.7 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.306 2.004 . . . . 0.0 111.678 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.511 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.49 137.64 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.159 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.637 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 22.9 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.488 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.848 0.356 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.2 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' P' ' 10' ' ' TYR . 51.8 mt -136.85 133.98 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 111.216 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.08 118.14 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.838 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.491 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.96 137.18 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.524 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.426 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.63 136.06 47.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.42 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.64 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 68.96 41.79 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 34.8 Cg_endo -64.27 142.31 79.09 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.401 2.067 . . . . 0.0 111.569 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -131.6 135.71 47.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.785 0.326 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 22.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.841 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.13 140.67 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.43 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -139.13 134.62 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.93 119.02 11.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.729 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 5' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.85 137.52 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.221 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.51 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.55 136.2 47.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.954 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.06 13.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.93 69.43 37.09 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-O 120.642 0.258 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.9 Cg_endo -65.1 144.67 82.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.407 2.071 . . . . 0.0 112.147 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.9 m-85 -133.28 141.54 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 23.2 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.838 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.512 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.771 0.32 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.603 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.38 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -139.06 135.25 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.54 119.09 11.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.585 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.86 137.56 31.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.646 0.26 . . . . 0.0 111.202 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.595 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.41 136.71 48.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.04 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.14 69.67 39.86 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.596 0.236 . . . . 0.0 110.953 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.2 Cg_endo -65.46 145.12 81.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.435 2.09 . . . . 0.0 112.042 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.565 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 8.0 m-85 -134.11 141.73 47.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 24.3 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.796 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.512 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.44 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.207 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 mt -139.0 135.83 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.5 12.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.674 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.04 137.15 30.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.634 0.254 . . . . 0.0 111.156 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.39 136.36 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.812 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 121.03 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.18 69.42 39.62 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-O 120.664 0.269 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 33.6 Cg_endo -64.9 145.12 85.13 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.522 2.148 . . . . 0.0 112.035 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.546 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.0 m-85 -134.63 140.9 46.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.013 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.76 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 22.7 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.789 0.328 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.55 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 48.1 mt -139.3 135.79 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 111.363 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.44 119.25 11.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.582 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.7 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.627 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.26 136.1 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.804 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.6 120.92 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.44 69.76 43.12 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-O 120.701 0.286 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.0 Cg_endo -65.64 145.21 81.05 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.434 2.089 . . . . 0.0 112.092 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.486 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.1 m-85 -134.13 141.53 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.724 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 29.7 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.626 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.585 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.72 140.54 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.341 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mt -139.89 135.68 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.055 0.455 . . . . 0.0 111.303 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.55 119.41 11.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.691 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.03 137.34 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.583 0.23 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.638 HD23 HD21 ' E' ' 7' ' ' LEU . 0.4 OUTLIER -131.52 136.14 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.865 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.98 13.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.664 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.7 69.28 44.59 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.934 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.0 Cg_endo -64.94 145.38 85.52 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.549 2.166 . . . . 0.0 112.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 8.1 m-85 -134.84 140.15 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.724 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 30.3 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.795 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.631 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.695 0.283 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.31 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mt -139.9 135.57 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.053 0.454 . . . . 0.0 111.508 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.55 119.32 11.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.706 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.82 137.37 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 0.0 111.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.683 HD23 HD21 ' F' ' 7' ' ' LEU . 0.4 OUTLIER -131.58 136.26 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.87 120.79 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.427 ' HB2' HD13 ' F' ' 3' ' ' ILE . 0.2 OUTLIER -123.13 68.82 37.62 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.857 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.0 Cg_endo -64.83 145.45 86.14 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.52 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.1 m-85 -135.38 140.58 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.715 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 33.6 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.631 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.511 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.72 37.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.573 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.1 135.31 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.579 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.742 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.0 30.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.7 0.285 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' G' ' 7' ' ' LEU . 0.4 OUTLIER -131.25 136.25 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 120.69 13.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.413 ' HB2' HD13 ' G' ' 3' ' ' ILE . 0.2 OUTLIER -123.06 69.07 37.51 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-O 120.672 0.272 . . . . 0.0 110.743 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.87 145.31 85.67 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.45 2.1 . . . . 0.0 112.207 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.537 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.8 m-85 -135.16 140.99 45.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 34.1 t . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.79 37.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.26 136.3 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.283 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.33 119.4 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.13 135.85 29.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.627 0.251 . . . . 0.0 111.287 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.676 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -129.7 136.29 49.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.88 121.14 14.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.401 ' HB2' HD13 ' H' ' 3' ' ' ILE . 0.2 OUTLIER -124.19 71.55 54.66 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-O 120.839 0.352 . . . . 0.0 110.683 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.641 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.3 Cg_endo -67.31 144.39 67.96 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.439 2.092 . . . . 0.0 112.274 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.515 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.1 m-85 -134.95 140.44 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 36.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.66 140.2 38.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.01 135.64 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.01 118.92 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.33 138.45 31.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER -131.2 136.5 48.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.985 0.422 . . . . 0.0 110.595 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.811 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.01 121.45 16.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.0 70.65 67.88 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.79 0.329 . . . . 0.0 111.406 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.23 140.96 60.89 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 111.361 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.435 ' N ' HG21 ' I' ' 2' ' ' THR . 6.4 m-85 -131.6 151.65 51.44 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.873 0.368 . . . . 0.0 111.647 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.513 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.735 0.302 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.33 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.551 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' J' ' 10' ' ' TYR . 53.1 mt -138.45 136.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.91 118.63 11.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.761 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.56 138.15 30.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.435 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.21 136.64 48.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.786 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.822 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.14 14.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.559 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -125.88 70.38 66.56 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.564 0.221 . . . . 0.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.18 144.59 81.85 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.247 1.965 . . . . 0.0 111.308 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.453 ' H ' HG21 ' J' ' 2' ' ' THR . 5.8 m-85 -133.99 149.58 51.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.882 0.373 . . . . 0.0 111.569 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.285 179.468 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.486 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.4 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.508 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' K' ' 10' ' ' TYR . 50.8 mt -138.23 136.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.0 118.53 11.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.899 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.424 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.5 138.23 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.62 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.875 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.13 121.4 14.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.33 69.68 68.69 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-O 120.609 0.243 . . . . 0.0 111.369 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HB3' ' HG2' ' D' ' 9' ' ' PRO . 35.7 Cg_endo -65.04 143.56 79.08 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.302 2.002 . . . . 0.0 111.286 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.664 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.177 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.486 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.27 37.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' L' ' 10' ' ' TYR . 53.4 mt -138.15 135.87 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.0 118.55 11.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.452 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.64 137.99 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.73 136.74 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.12 121.42 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.531 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.11 69.51 66.8 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.664 0.268 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -65.5 142.86 73.47 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.399 2.066 . . . . 0.0 111.258 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.99 149.37 52.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.654 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.097 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.502 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.742 0.306 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.28 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' M' ' 10' ' ' TYR . 52.3 mt -137.92 135.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -140.95 118.62 11.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.777 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.61 137.87 30.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.227 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.44 14.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.37 69.57 68.85 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.441 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.1 Cg_endo -65.73 143.67 75.01 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.228 1.952 . . . . 0.0 111.219 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.404 ' H ' HG21 ' M' ' 2' ' ' THR . 5.7 m-85 -131.38 147.96 52.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 111.553 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 5.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.524 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.332 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.34 37.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.408 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' N' ' 10' ' ' TYR . 54.6 mt -138.13 135.81 44.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.144 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.1 118.52 11.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.09 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.53 136.48 47.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.917 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.4 14.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.38 69.5 68.76 Favored Pre-proline 0 C--N 1.332 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.506 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 38.4 Cg_endo -66.0 143.4 72.22 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.296 1.997 . . . . 0.0 111.17 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.84 148.01 52.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.554 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 5.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.058 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.524 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.06 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.0 mt -137.82 135.52 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.12 118.45 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.59 138.17 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 136.44 47.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.917 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.747 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.34 121.28 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.583 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.23 69.12 67.09 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.597 0.237 . . . . 0.0 111.225 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.5 Cg_endo -66.13 141.72 64.67 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.235 1.957 . . . . 0.0 111.128 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.48 149.47 50.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 111.591 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 5.0 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.394 -0.813 . . . . 0.0 111.052 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.471 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.716 0.293 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.08 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.342 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' P' ' 10' ' ' TYR . 52.3 mt -137.67 134.98 46.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.38 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.534 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.74 138.22 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.14 47.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 121.27 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.23 67.96 64.64 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.6 Cg_endo -65.7 139.71 58.96 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.273 1.982 . . . . 0.0 111.18 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -125.53 150.75 47.15 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 111.891 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 4.5 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.197 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.75 37.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -138.74 135.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.76 119.14 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.17 138.58 31.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.236 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.49 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.02 47.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.01 121.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.138 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.15 69.63 67.33 Favored Pre-proline 0 C--O 1.233 0.193 0 CA-C-O 120.666 0.27 . . . . 0.0 111.257 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 35.7 Cg_endo -65.29 143.36 76.72 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.291 1.994 . . . . 0.0 111.754 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.446 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 6.6 m-85 -128.9 152.02 49.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.498 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 5.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.424 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.73 0.3 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.453 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.49 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -138.63 136.83 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.271 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.17 119.08 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.23 138.5 31.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.58 0.229 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.587 HD23 HD21 ' B' ' 7' ' ' LEU . 0.7 OUTLIER -131.57 136.51 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.963 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.19 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.265 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -126.96 70.36 74.18 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.695 0.284 . . . . 0.0 111.327 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.4 Cg_endo -66.46 144.06 71.88 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.304 2.002 . . . . 0.0 111.679 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD11 ' B' ' 3' ' ' ILE . 6.3 m-85 -129.74 150.72 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.501 ' HA ' ' HB2' ' K' ' 11' ' ' SER . 6.2 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.544 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.673 0.273 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.59 37.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 111.436 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt -139.37 137.03 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.455 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.24 119.14 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.642 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.25 138.22 31.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.629 0.252 . . . . 0.0 111.051 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.62 136.6 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.788 0.328 . . . . 0.0 111.051 179.725 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.45 121.13 14.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 69.45 68.73 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.2 Cg_endo -65.53 144.57 79.61 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.412 2.075 . . . . 0.0 111.749 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' C' ' 3' ' ' ILE . 6.2 m-85 -131.29 149.5 52.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.331 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 8.8 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.853 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.664 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.757 0.313 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.88 140.46 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.493 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -139.6 137.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.287 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.47 118.93 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.24 137.8 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.685 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.7 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.06 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.278 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.6 69.54 70.48 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-O 120.642 0.258 . . . . 0.0 111.186 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.74 144.9 79.55 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.372 2.048 . . . . 0.0 111.821 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' D' ' 3' ' ' ILE . 6.5 m-85 -131.64 149.99 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 11.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.027 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.664 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.841 0.353 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.54 37.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.48 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 56.7 mt -140.35 137.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 111.337 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.46 119.1 11.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.759 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 138.03 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.59 0.234 . . . . 0.0 111.135 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.675 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.32 136.39 48.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.55 121.04 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.338 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -126.32 68.89 67.4 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.588 0.233 . . . . 0.0 111.286 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 34.5 Cg_endo -64.92 145.21 85.22 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.323 2.016 . . . . 0.0 111.882 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.465 ' CE1' HD11 ' E' ' 3' ' ' ILE . 6.4 m-85 -132.62 148.83 52.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.658 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.704 0.288 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.1 140.54 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 111.612 -179.456 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 58.9 mt -141.14 136.46 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.5 119.41 11.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.701 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.26 31.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.638 0.256 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.717 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.42 136.39 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.982 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.9 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.355 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.17 69.19 66.75 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.59 0.234 . . . . 0.0 111.368 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.538 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 35.4 Cg_endo -65.51 145.04 81.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.306 2.004 . . . . 0.0 111.664 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' F' ' 3' ' ' ILE . 6.5 m-85 -132.74 149.07 52.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 111.157 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 11.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.466 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -137.26 140.88 41.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.674 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -142.64 135.53 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.355 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.648 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.12 138.15 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.536 0.208 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.747 HD23 HD21 ' G' ' 7' ' ' LEU . 0.7 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.066 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.68 120.94 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.35 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.26 69.25 67.55 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 111.188 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 34.7 Cg_endo -65.47 145.12 81.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.384 2.056 . . . . 0.0 111.813 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.9 m-85 -132.8 148.45 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' P' ' 11' ' ' SER . 14.0 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -0.802 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.62 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.486 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 53.7 mt -139.86 137.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.91 119.17 12.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.643 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.2 31.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.594 0.235 . . . . 0.0 111.286 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.712 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.71 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.964 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.98 121.12 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.504 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.89 70.91 74.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.254 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.8 Cg_endo -67.34 144.02 66.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.51 2.14 . . . . 0.0 111.798 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' H' ' 3' ' ' ILE . 7.2 m-85 -132.53 147.15 52.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 17.1 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.03 140.4 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.309 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' I' ' 8' ' ' SER . 49.6 mt -139.77 135.59 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.81 119.01 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.45 31.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.45 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.677 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.78 121.41 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.694 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -127.07 70.61 75.04 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -65.82 142.58 70.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.485 2.123 . . . . 0.0 111.428 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.43 151.57 51.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.882 0.372 . . . . 0.0 111.628 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.783 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.497 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.43 37.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.554 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' J' ' 8' ' ' SER . 48.6 mt -138.8 136.41 43.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.297 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.19 118.79 11.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.51 138.21 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.179 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.4 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.35 136.83 48.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.799 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.842 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.91 121.19 14.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.0 m -126.98 70.24 74.19 Favored Pre-proline 0 N--CA 1.456 -0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.381 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.504 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -64.67 144.7 85.04 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.363 2.042 . . . . 0.0 111.26 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.429 ' H ' HG21 ' J' ' 2' ' ' THR . 5.3 m-85 -134.26 149.77 50.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 111.491 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.385 -0.816 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.522 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.27 37.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.437 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' K' ' 8' ' ' SER . 48.1 mt -138.3 135.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.58 11.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.683 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.21 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.46 136.78 48.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.844 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.842 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.34 14.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.533 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -127.25 70.35 75.37 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-O 120.658 0.266 . . . . 0.0 111.36 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.504 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.7 Cg_endo -65.55 143.12 74.13 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.267 1.978 . . . . 0.0 111.284 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.875 0.369 . . . . 0.0 111.553 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.165 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.522 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.648 0.261 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.52 140.33 37.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.307 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' L' ' 10' ' ' TYR . 48.2 mt -138.54 135.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.14 118.62 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.57 138.23 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.36 136.82 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.46 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.653 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -127.38 69.63 75.0 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.673 0.273 . . . . 0.0 111.522 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.33 142.94 74.94 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.324 2.016 . . . . 0.0 111.311 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -131.4 148.94 52.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.557 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.208 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.473 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.2 37.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.47 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' M' ' 10' ' ' TYR . 49.0 mt -138.37 135.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.4 118.62 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.684 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.64 138.33 30.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' F' ' 6' ' ' LEU . 0.7 OUTLIER -131.44 136.77 48.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.3 121.36 14.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -127.37 69.7 75.02 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-O 120.61 0.243 . . . . 0.0 111.358 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.56 142.77 72.7 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.341 2.028 . . . . 0.0 111.293 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.89 148.75 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.742 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.047 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.4 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' N' ' 10' ' ' TYR . 55.4 mt -138.76 135.56 43.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.273 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.24 118.58 11.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.772 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.507 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.37 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' HG ' ' E' ' 6' ' ' LEU . 0.7 OUTLIER -131.4 136.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.978 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.767 HD21 HD23 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 121.17 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.01 69.46 73.42 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.583 0.23 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.0 Cg_endo -65.92 141.61 65.49 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.359 2.039 . . . . 0.0 111.202 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.18 150.03 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.446 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.092 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.458 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.719 0.295 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.31 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.44 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 56.8 mt -138.69 135.24 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.14 118.44 11.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.634 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.52 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.58 138.59 30.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.93 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.875 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.793 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.27 121.18 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -127.61 69.49 75.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.664 0.269 . . . . 0.0 111.227 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.0 Cg_endo -66.31 142.18 65.37 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.278 1.985 . . . . 0.0 111.119 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -129.18 149.36 51.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.534 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.458 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.12 37.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' P' ' 8' ' ' SER . 52.3 mt -138.03 134.76 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.065 0.46 . . . . 0.0 111.229 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.87 118.32 11.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.906 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.572 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.89 138.71 30.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.47 136.43 47.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.25 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.375 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -127.35 68.31 72.93 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.525 0.202 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.7 Cg_endo -65.4 139.94 61.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.36 2.04 . . . . 0.0 111.141 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.28 151.13 47.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.823 0.344 . . . . 0.0 111.769 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.672 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.072 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.814 0.34 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.59 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.409 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -138.57 136.1 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.12 0.486 . . . . 0.0 111.494 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 118.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.762 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.28 138.62 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.53 136.2 47.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.172 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.95 121.14 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.195 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.479 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.5 m -127.48 68.91 74.5 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-O 120.584 0.23 . . . . 0.0 111.212 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.8 Cg_endo -64.58 143.04 80.19 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.336 2.024 . . . . 0.0 111.834 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 5.8 m-85 -128.68 152.27 48.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 111.339 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.654 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.01 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.429 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.336 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -139.11 136.66 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.378 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.27 119.11 11.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.616 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.08 138.65 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.606 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.63 136.74 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.13 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 121.19 14.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.374 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.475 ' HB2' HD13 ' B' ' 3' ' ' ILE . 74.8 m -127.67 69.4 75.84 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.637 0.256 . . . . 0.0 111.245 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.548 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.3 Cg_endo -65.23 144.03 79.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.293 1.996 . . . . 0.0 111.782 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.5 150.87 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 111.283 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 140.65 36.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.407 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.5 mt -139.47 137.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.351 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.48 119.07 11.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.6 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.602 0.239 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.625 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.58 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.61 120.97 13.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' C' ' 3' ' ' ILE . 70.8 m -127.83 69.48 76.55 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.9 Cg_endo -65.25 144.73 81.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.355 2.037 . . . . 0.0 111.751 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' C' ' 3' ' ' ILE . 5.8 m-85 -131.55 150.04 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.237 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.036 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.767 0.317 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 140.65 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.361 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.08 136.83 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.399 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.41 119.15 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -142.16 138.76 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.595 0.236 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.61 136.71 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.53 121.09 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.439 ' HB2' HD13 ' D' ' 3' ' ' ILE . 75.6 m -127.87 69.19 76.39 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.672 0.272 . . . . 0.0 111.31 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 36.0 Cg_endo -65.15 145.16 83.83 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.387 2.058 . . . . 0.0 111.809 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' D' ' 3' ' ' ILE . 5.9 m-85 -132.33 149.36 52.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.521 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.47 37.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.533 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -140.81 136.46 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.429 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.669 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.06 138.77 31.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.619 0.247 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.65 48.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.978 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.67 120.88 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.464 ' HB2' HD13 ' E' ' 3' ' ' ILE . 72.1 m -127.65 69.64 76.01 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.628 0.251 . . . . 0.0 111.298 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 35.0 Cg_endo -65.11 145.12 83.99 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.328 2.019 . . . . 0.0 111.797 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.7 m-85 -132.43 149.73 52.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.56 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.44 140.62 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.415 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.61 136.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.4 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.52 119.27 11.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.712 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.27 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.589 0.233 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.767 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.49 136.54 48.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 111.009 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 120.83 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.304 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.472 ' HB2' HD13 ' F' ' 3' ' ' ILE . 72.5 m -127.9 69.69 77.01 Favored Pre-proline 0 C--O 1.233 0.19 0 CA-C-O 120.605 0.24 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.518 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.5 Cg_endo -65.46 145.19 82.08 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.369 2.046 . . . . 0.0 111.69 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.7 m-85 -132.7 148.99 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.769 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.56 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.505 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.32 140.94 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -142.59 135.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.155 0.503 . . . . 0.0 111.447 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.48 119.4 11.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.52 31.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.643 0.259 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.793 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.49 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.94 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.337 179.759 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.455 ' HB2' HD13 ' G' ' 3' ' ' ILE . 73.0 m -127.87 69.21 76.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.621 0.248 . . . . 0.0 111.277 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.8 Cg_endo -65.2 145.12 83.46 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.309 2.006 . . . . 0.0 111.727 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.2 m-85 -133.11 148.68 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.808 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.542 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.39 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.309 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 52.5 mt -139.51 137.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.211 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.09 119.15 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.642 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.72 31.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.558 0.218 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.753 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.9 48.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.74 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.03 121.28 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.465 ' HB2' HD13 ' H' ' 3' ' ' ILE . 73.7 m -128.34 71.23 79.82 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.705 0.288 . . . . 0.0 111.347 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -67.53 144.29 66.26 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.415 2.077 . . . . 0.0 111.813 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -133.17 147.82 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.789 0.328 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.3 38.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.351 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' I' ' 8' ' ' SER . 43.3 mt -138.69 135.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.86 118.9 11.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.937 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.35 137.19 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.42 136.48 49.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.08 121.61 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.76 -179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.72 70.89 66.32 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.301 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HB3' ' HG2' ' B' ' 9' ' ' PRO . 39.5 Cg_endo -66.43 142.53 65.97 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.538 2.158 . . . . 0.0 111.447 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.67 151.03 51.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.752 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' B' ' 11' ' ' SER . 22.1 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.576 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.299 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.513 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' J' ' 8' ' ' SER . 45.8 mt -138.33 136.18 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -140.9 118.61 11.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.819 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.433 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.6 137.7 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.48 48.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.675 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.868 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.08 121.44 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -125.61 70.62 65.09 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-O 120.61 0.243 . . . . 0.0 111.372 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 36.4 Cg_endo -65.23 143.98 79.35 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.296 1.997 . . . . 0.0 111.264 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.59 149.6 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.666 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 11' ' ' SER . 17.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.286 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.715 0.293 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.26 37.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.503 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.684 HD13 ' HB2' ' K' ' 8' ' ' SER . 42.3 mt -137.57 136.06 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.09 118.55 11.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.778 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.65 137.75 30.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.166 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.2 136.41 48.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.803 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.39 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.61 70.38 64.67 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.573 0.225 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.6 Cg_endo -65.11 144.34 81.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.152 1.901 . . . . 0.0 111.336 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.421 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -133.34 147.96 51.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 111.618 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' D' ' 11' ' ' SER . 20.3 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.465 -0.779 . . . . 0.0 111.211 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.42 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.431 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' L' ' 8' ' ' SER . 47.3 mt -137.84 136.34 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.13 118.4 11.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.882 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.89 137.15 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.282 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.51 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.798 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.44 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.52 69.37 62.15 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.427 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.0 Cg_endo -64.85 144.29 82.74 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.302 2.001 . . . . 0.0 111.171 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -132.84 148.58 52.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 111.542 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' C' ' 11' ' ' SER . 18.3 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.149 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.534 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.715 0.293 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.26 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.535 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.7 mt -137.74 135.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.23 118.36 11.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.459 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.1 121.32 14.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -125.79 69.14 63.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.597 0.237 . . . . 0.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.2 Cg_endo -65.02 143.41 78.69 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.339 2.026 . . . . 0.0 111.132 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.25 148.88 52.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.645 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 19.9 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.033 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.511 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.629 0.252 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.32 37.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' N' ' 8' ' ' SER . 52.6 mt -137.15 135.75 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.18 118.24 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.802 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -143.03 137.88 29.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.2 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.8 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.789 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.19 121.33 14.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.06 69.08 65.72 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-N 116.735 -0.212 . . . . 0.0 111.325 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.9 Cg_endo -65.64 143.51 75.02 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.361 2.04 . . . . 0.0 111.169 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.98 148.51 52.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.558 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 18.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.093 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.511 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 140.19 37.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.385 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.687 HD13 ' HB2' ' O' ' 8' ' ' SER . 46.8 mt -137.51 135.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.18 118.49 11.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.978 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.477 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.81 138.08 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.176 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.69 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.53 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.32 68.65 66.89 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 38.2 Cg_endo -65.54 143.11 74.17 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.368 2.045 . . . . 0.0 111.067 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.412 ' H ' HG21 ' O' ' 2' ' ' THR . 5.1 m-85 -130.08 147.96 51.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 111.74 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 21.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.093 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.489 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.0 37.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.6 mt -136.99 134.86 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.71 118.23 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.971 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.54 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -143.0 138.0 29.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.336 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.57 136.26 47.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.25 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.13 68.4 64.86 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.532 0.206 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 40.6 Cg_endo -65.68 141.24 65.4 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.284 1.989 . . . . 0.0 111.133 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.48 148.12 50.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.383 . . . . 0.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.512 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 13.2 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.55 140.63 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.43 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -137.9 135.9 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.434 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.8 118.86 11.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 5' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.23 138.15 31.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.65 136.15 47.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 121.14 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.218 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 3' ' ' ILE . 1.3 m -125.49 69.25 61.7 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 120.61 0.243 . . . . 0.0 111.193 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.7 Cg_endo -64.66 143.72 81.9 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 111.81 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.9 m-85 -129.68 150.88 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 17.9 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.026 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.554 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 140.69 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mt -138.59 136.82 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.297 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.41 119.06 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.609 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.21 138.25 31.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.593 0.235 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.611 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.6 136.57 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.97 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.701 ' HB2' HD13 ' B' ' 3' ' ' ILE . 1.4 m -125.95 70.24 66.84 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 36.6 Cg_endo -65.99 144.25 75.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.338 2.026 . . . . 0.0 111.659 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.64 149.81 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.39 . . . . 0.0 111.35 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.557 ' HB2' ' HA ' ' I' ' 11' ' ' SER . 24.0 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.421 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.68 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.439 -179.65 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 mt -138.94 137.22 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.3 119.11 11.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.663 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.24 137.77 30.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.554 0.216 . . . . 0.0 111.003 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.613 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.47 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 111.032 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.66 120.88 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.684 ' HB2' HD13 ' C' ' 3' ' ' ILE . 1.2 m -125.65 69.57 63.52 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-O 120.67 0.271 . . . . 0.0 111.233 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.506 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.4 Cg_endo -65.38 145.04 82.23 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.271 1.98 . . . . 0.0 111.73 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.8 m-85 -131.87 149.48 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.307 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 35.1 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.96 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.565 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.792 0.33 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.65 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.477 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -139.76 137.0 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.394 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.32 119.19 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.659 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.26 137.63 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.594 0.235 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.652 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.51 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.968 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 121.09 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.338 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.695 ' HB2' HD13 ' D' ' 3' ' ' ILE . 1.2 m -125.99 70.03 66.76 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.656 0.265 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -65.8 144.71 78.47 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.405 2.07 . . . . 0.0 111.756 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -131.93 149.13 52.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.264 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 32.0 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.02 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.59 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.22 140.57 37.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.528 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.35 137.12 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.443 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.45 119.24 11.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.617 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.31 137.32 30.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.553 0.216 . . . . 0.0 111.091 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.42 48.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.91 0.385 . . . . 0.0 110.914 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 121.02 14.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.387 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.692 ' HB2' HD13 ' E' ' 3' ' ' ILE . 1.3 m -126.05 70.18 67.45 Favored Pre-proline 0 C--O 1.232 0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 111.21 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 36.8 Cg_endo -66.0 145.18 78.87 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.387 2.058 . . . . 0.0 111.749 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.9 m-85 -132.58 149.01 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' L' ' 11' ' ' SER . 38.1 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.59 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.291 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.73 38.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.648 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -140.98 136.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.313 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.46 119.31 11.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.34 30.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.619 0.247 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.719 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.27 47.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 120.87 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.703 ' HB2' HD13 ' F' ' 3' ' ' ILE . 1.3 m -125.81 69.81 65.12 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.593 0.235 . . . . 0.0 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.9 Cg_endo -65.53 145.22 81.74 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.413 2.076 . . . . 0.0 111.712 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.476 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.9 m-85 -133.29 148.26 51.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.159 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 36.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.457 -0.782 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.747 0.308 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.05 140.77 40.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.754 -179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -142.26 135.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.457 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.41 119.24 11.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.622 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.51 30.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.566 0.222 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.728 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 120.88 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.687 ' HB2' HD13 ' G' ' 3' ' ' ILE . 1.2 m -125.94 69.47 65.45 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 111.221 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.597 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 35.4 Cg_endo -65.59 145.35 81.76 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.404 2.069 . . . . 0.0 111.762 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.4 m-85 -133.68 147.95 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.099 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' N' ' 11' ' ' SER . 50.3 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.138 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.69 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 mt -139.09 137.4 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.99 119.22 12.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.792 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.61 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.543 0.211 . . . . 0.0 111.21 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.736 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.25 136.63 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 110.85 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.05 121.32 14.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.632 ' HB2' HD13 ' H' ' 3' ' ' ILE . 1.2 m -126.3 70.88 70.31 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.695 0.284 . . . . 0.0 111.197 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.597 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.9 Cg_endo -66.79 144.88 73.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.461 2.107 . . . . 0.0 111.793 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.403 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.7 m-85 -133.76 147.07 51.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.237 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 51.1 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.794 . . . . 0.0 111.079 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.6 140.28 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' I' ' 8' ' ' SER . 44.8 mt -139.35 135.31 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.21 138.7 31.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 1.0 OUTLIER -131.38 136.61 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.74 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.24 121.55 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.375 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -125.61 69.43 62.95 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.617 0.246 . . . . 0.0 111.395 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 36.6 Cg_endo -65.07 141.28 69.31 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.614 2.21 . . . . 0.0 111.507 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.45 152.53 51.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.901 0.382 . . . . 0.0 111.531 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.651 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.486 -0.769 . . . . 0.0 111.455 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.464 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.699 0.285 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 140.46 38.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.46 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' J' ' 8' ' ' SER . 47.9 mt -138.59 135.88 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.518 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.779 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.416 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.43 138.2 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.227 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.9 OUTLIER -131.41 136.51 48.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.721 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.84 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.41 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -125.4 69.68 61.84 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.9 Cg_endo -64.55 142.91 79.87 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.214 1.942 . . . . 0.0 111.413 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.452 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.73 150.58 50.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.954 0.407 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.651 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.382 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.54 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.689 0.28 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.39 37.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.388 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' K' ' 8' ' ' SER . 47.7 mt -138.36 135.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.14 118.69 11.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.854 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.458 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.6 137.78 30.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.34 136.45 48.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.704 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.84 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.51 14.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -125.86 68.54 63.06 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-O 120.619 0.247 . . . . 0.0 111.382 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 31.7 Cg_endo -63.75 143.37 86.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.329 2.019 . . . . 0.0 111.36 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.456 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.29 150.02 50.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 111.504 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.369 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.54 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.724 0.297 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.42 37.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.343 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' L' ' 8' ' ' SER . 48.0 mt -138.3 135.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.15 118.74 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.864 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.56 138.33 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.271 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.452 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.71 136.7 47.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.847 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.43 14.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.2 m -126.02 69.3 65.78 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.567 0.222 . . . . 0.0 111.277 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.51 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.5 Cg_endo -65.06 143.04 77.09 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.23 1.953 . . . . 0.0 111.318 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.435 ' H ' HG21 ' L' ' 2' ' ' THR . 5.0 m-85 -133.2 149.69 52.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.532 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.595 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.219 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.692 0.282 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 140.24 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.328 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.0 mt -137.53 135.54 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.18 118.52 11.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.813 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.81 138.17 30.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.262 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.452 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.63 136.42 47.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.51 14.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -126.14 68.82 65.81 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.514 0.197 . . . . 0.0 111.327 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.6 Cg_endo -64.92 143.46 79.5 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.325 2.017 . . . . 0.0 111.229 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.407 ' H ' HG21 ' M' ' 2' ' ' THR . 4.8 m-85 -133.46 150.12 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.861 0.362 . . . . 0.0 111.395 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.596 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.437 -0.792 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.686 0.279 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.19 37.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.356 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.534 HD13 ' HB2' ' N' ' 8' ' ' SER . 47.1 mt -137.92 135.42 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.2 118.55 11.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.69 138.1 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.49 136.52 47.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.36 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 47.8 m -125.84 68.63 63.07 Favored Pre-proline 0 C--O 1.233 0.191 0 CA-C-O 120.585 0.231 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.4 Cg_endo -65.2 142.16 72.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.301 2.001 . . . . 0.0 111.111 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.66 150.68 52.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 111.536 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.596 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.039 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.22 37.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.28 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' O' ' 8' ' ' SER . 50.0 mt -137.47 135.4 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.28 118.58 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.84 138.43 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.274 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.7 136.45 47.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.56 121.4 14.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -125.85 68.08 61.89 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.346 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.502 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 36.9 Cg_endo -64.92 141.72 72.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.331 2.02 . . . . 0.0 111.185 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.89 150.33 52.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 111.6 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.056 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.463 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.757 0.313 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.8 140.24 38.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.388 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' P' ' 8' ' ' SER . 47.4 mt -137.93 134.5 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.15 0.5 . . . . 0.0 111.197 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.4 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.84 138.3 30.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.28 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.66 136.04 47.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.05 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.46 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.586 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 40.2 m -125.75 67.25 59.2 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.518 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 36.9 Cg_endo -64.35 140.46 70.31 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.236 1.957 . . . . 0.0 111.264 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -128.45 151.84 48.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.804 0.335 . . . . 0.0 111.694 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.153 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.687 0.28 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.67 140.69 38.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.305 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.8 mt -138.74 135.39 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.519 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.89 118.81 11.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.93 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.188 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.487 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.72 136.09 47.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.17 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.277 179.559 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' A' ' 3' ' ' ILE . 49.0 m -125.88 68.51 63.1 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.8 Cg_endo -64.02 142.98 83.52 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.336 2.024 . . . . 0.0 111.823 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.464 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -130.6 152.87 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 111.446 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.411 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.452 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.51 37.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 45.3 mt -138.72 136.26 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.341 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.13 119.24 12.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.617 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.58 31.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.611 0.243 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.48 136.48 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.038 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.98 13.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' B' ' 3' ' ' ILE . 44.0 m -126.03 69.35 65.94 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-O 120.619 0.247 . . . . 0.0 111.174 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.6 Cg_endo -65.19 143.7 78.64 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.387 2.058 . . . . 0.0 111.717 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -131.9 151.75 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 111.285 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.518 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.456 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.54 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 mt -139.48 136.47 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.39 119.06 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.631 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.15 138.76 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.616 0.246 . . . . 0.0 110.925 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.603 HD23 HD21 ' C' ' 7' ' ' LEU . 0.8 OUTLIER -131.64 136.29 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.0 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.07 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.384 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' C' ' 3' ' ' ILE . 51.0 m -126.56 68.96 69.37 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.633 0.254 . . . . 0.0 111.184 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 32.8 Cg_endo -64.77 144.54 83.99 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.325 2.017 . . . . 0.0 111.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.7 m-85 -132.96 150.74 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.221 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.578 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.435 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.49 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.339 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.48 136.55 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.49 119.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.751 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.87 31.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.571 0.224 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.667 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.47 136.42 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.971 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.57 121.08 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.341 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.535 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.2 m -125.72 68.78 62.47 Favored Pre-proline 0 N--CA 1.456 -0.159 0 CA-C-O 120.667 0.27 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 31.7 Cg_endo -64.5 144.72 85.98 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.393 2.062 . . . . 0.0 111.696 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.6 m-85 -134.11 150.72 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.244 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.627 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.578 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.752 0.31 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.78 37.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.546 -179.477 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.58 136.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.37 119.25 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.66 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.13 31.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.58 0.229 . . . . 0.0 111.052 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.671 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.22 47.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.922 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.96 13.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' E' ' 3' ' ' ILE . 34.5 m -126.2 68.56 65.73 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 111.183 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 31.3 Cg_endo -64.33 144.95 87.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.314 2.01 . . . . 0.0 111.819 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.479 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.7 m-85 -134.19 150.56 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.203 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.627 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.649 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.2 140.56 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 -179.397 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -140.98 136.68 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.152 0.501 . . . . 0.0 111.502 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.58 119.12 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.648 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.86 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.556 0.217 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.74 HD23 HD21 ' F' ' 7' ' ' LEU . 0.8 OUTLIER -131.54 136.26 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.072 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.93 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.534 ' HB2' HD13 ' F' ' 3' ' ' ILE . 38.5 m -125.97 68.63 64.12 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.666 0.27 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 31.6 Cg_endo -64.23 145.18 88.42 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.364 2.043 . . . . 0.0 111.724 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.47 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.7 m-85 -134.6 149.89 50.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.26 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.649 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.754 0.312 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.518 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.89 140.75 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.65 -179.357 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.59 136.03 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.48 119.14 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.749 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 138.38 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.746 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.13 47.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.908 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 120.75 13.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.454 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' G' ' 3' ' ' ILE . 41.2 m -125.77 68.51 62.26 Favored Pre-proline 0 C--O 1.232 0.163 0 CA-C-O 120.651 0.263 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.587 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.28 145.23 88.25 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.333 2.022 . . . . 0.0 111.646 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.439 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 5.8 m-85 -135.48 149.61 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.093 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.063 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.508 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.65 38.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.364 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -139.89 137.23 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.16 119.42 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 138.85 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.611 0.243 . . . . 0.0 111.276 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.732 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.52 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.12 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.4 m -126.57 70.04 70.95 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.307 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.3 Cg_endo -66.6 143.22 67.63 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.408 2.072 . . . . 0.0 111.868 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -134.34 148.51 50.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.68 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.539 -0.743 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mt -138.39 135.32 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.06 12.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.24 137.74 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.236 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.5 136.44 48.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.852 0.358 . . . . 0.0 110.578 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.48 121.48 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.43 71.63 71.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.756 0.312 . . . . 0.0 111.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.3 Cg_endo -65.83 142.94 71.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.525 2.15 . . . . 0.0 111.5 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.65 151.48 51.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 111.618 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.539 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.44 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.36 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 111.515 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -138.16 135.25 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.08 118.9 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.32 138.29 31.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.267 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.22 136.5 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.734 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.82 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.5 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.09 70.62 68.49 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.627 0.251 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.6 Cg_endo -64.51 143.89 83.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.334 2.023 . . . . 0.0 111.349 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.86 149.52 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 111.621 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.756 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.388 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.46 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.69 135.13 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.66 11.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.864 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.4 138.37 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.261 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.5 48.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.39 121.33 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -126.32 69.68 68.63 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.597 0.237 . . . . 0.0 111.362 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.4 Cg_endo -64.1 144.37 87.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.419 2.079 . . . . 0.0 111.407 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.23 149.62 50.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 0.0 111.557 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.701 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.187 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.562 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.67 0.272 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.16 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.439 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -137.65 135.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.3 118.79 11.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.47 138.22 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.3 136.54 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 121.35 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.3 70.0 68.98 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.634 0.254 . . . . 0.0 111.329 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.529 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.71 143.26 80.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.338 2.026 . . . . 0.0 111.39 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.442 ' H ' HG21 ' L' ' 2' ' ' THR . 4.9 m-85 -132.71 148.46 52.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 0.0 111.787 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.673 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.198 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.751 0.31 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.42 37.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.453 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.428 HD11 ' CE1' ' M' ' 10' ' ' TYR . 51.8 mt -137.77 134.98 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.31 118.77 11.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.837 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.52 138.46 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.316 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.4 48.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.8 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.48 121.47 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -126.57 69.89 70.79 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.372 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.2 Cg_endo -64.75 143.23 79.74 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.328 2.019 . . . . 0.0 111.443 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.28 148.28 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.585 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.67 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.157 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.61 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.361 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.6 mt -137.98 135.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.24 118.68 11.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.451 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.54 138.04 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.288 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.56 136.36 47.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.818 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.56 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -126.16 69.37 66.97 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.474 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 35.9 Cg_endo -64.63 142.4 77.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 0.0 111.269 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -130.78 149.09 52.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.897 0.38 . . . . 0.0 111.564 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.674 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 111.198 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.663 0.268 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.31 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.411 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.3 mt -137.8 135.62 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.37 118.74 11.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.773 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.498 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.6 137.84 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.324 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.38 136.37 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.984 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.771 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.43 121.59 14.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.69 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -126.62 69.12 70.03 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.562 0.22 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.487 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.1 Cg_endo -64.86 142.72 77.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.367 2.045 . . . . 0.0 111.255 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.58 148.78 52.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.877 0.37 . . . . 0.0 111.658 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.674 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.022 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.405 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.37 37.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' P' ' 10' ' ' TYR . 54.3 mt -137.45 134.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.79 118.55 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.521 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.83 138.43 30.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.425 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 136.06 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.19 121.52 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.516 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -126.39 68.25 66.52 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 36.1 Cg_endo -63.99 140.74 74.09 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.341 2.027 . . . . 0.0 111.107 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -128.18 149.45 50.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.841 0.353 . . . . 0.0 111.764 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.093 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.482 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.64 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 mt -137.61 135.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.34 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.85 119.03 12.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.77 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.64 31.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.259 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -131.66 135.54 46.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.171 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.15 121.18 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.345 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -126.27 69.42 67.85 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.229 . . . . 0.0 111.329 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.3 Cg_endo -63.93 144.45 88.11 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.81 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.44 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -131.16 151.29 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.376 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.77 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.419 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.18 136.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.18 119.22 11.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.618 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -142.27 138.22 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.622 0.248 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.604 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.45 136.44 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.8 121.08 13.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.473 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.6 m -126.39 70.12 69.78 Favored Pre-proline 0 C--O 1.231 0.118 0 CA-C-O 120.721 0.296 . . . . 0.0 111.24 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.574 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 34.1 Cg_endo -64.82 145.05 85.41 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.407 2.071 . . . . 0.0 111.783 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.5 m-85 -132.71 150.04 52.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.721 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.53 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.749 0.309 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.58 140.76 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.396 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -138.57 136.34 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.331 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.31 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.692 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.35 138.03 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.545 0.212 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.642 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.43 136.47 48.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 121.01 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -126.18 70.05 68.21 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.617 0.246 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 35.2 Cg_endo -65.19 144.61 81.87 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.336 2.024 . . . . 0.0 111.765 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.6 m-85 -132.32 149.71 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.721 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.065 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.683 0.277 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.442 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.83 140.71 36.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -138.86 136.59 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.53 119.1 11.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.564 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.2 137.82 31.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.563 0.22 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.64 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.42 136.34 47.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.99 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.37 70.13 69.7 Favored Pre-proline 0 CA--C 1.528 0.123 0 CA-C-O 120.591 0.234 . . . . 0.0 111.202 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.518 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 34.3 Cg_endo -65.21 145.22 83.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.368 2.045 . . . . 0.0 111.62 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.463 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -133.28 149.01 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.706 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.033 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.576 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.814 0.34 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.71 140.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.57 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 53.1 mt -139.45 136.5 40.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.45 119.42 11.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.624 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.68 30.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.548 0.214 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.696 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.13 136.11 48.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.78 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.96 13.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.673 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -126.3 69.72 68.51 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.625 0.25 . . . . 0.0 111.181 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.79 145.12 85.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.325 2.017 . . . . 0.0 111.758 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.6 m-85 -133.74 148.73 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.055 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.71 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.377 -0.821 . . . . 0.0 110.987 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.576 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.57 140.85 37.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.686 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -140.85 136.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.457 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.55 119.23 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.693 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 138.34 32.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.566 0.222 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.714 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.26 47.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.019 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.96 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.442 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.29 69.1 67.49 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-O 120.617 0.246 . . . . 0.0 111.354 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.6 Cg_endo -64.14 145.27 88.97 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.351 2.034 . . . . 0.0 111.889 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.8 m-85 -133.92 148.4 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.155 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.746 0.308 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.47 140.8 37.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.764 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 57.6 mt -141.07 135.89 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.507 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.62 119.51 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.663 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.8 137.81 31.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.672 0.272 . . . . 0.0 111.226 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.771 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.27 136.19 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.864 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 120.89 13.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.363 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.32 69.75 68.73 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-O 120.718 0.294 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.628 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.9 Cg_endo -64.78 145.22 85.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.386 2.057 . . . . 0.0 111.791 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.492 ' CE1' HD11 ' G' ' 3' ' ' ILE . 5.9 m-85 -134.57 148.13 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.44 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.45 137.1 40.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.281 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.22 119.56 12.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.746 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.91 138.19 31.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.338 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.24 136.34 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.32 14.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.586 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 7.5 m -127.26 71.96 76.74 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.739 0.304 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.628 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.7 Cg_endo -67.41 143.28 62.91 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.387 2.058 . . . . 0.0 112.012 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.4 m-85 -132.93 147.25 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.15 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.703 0.287 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' HG23 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.13 136.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.451 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -143.05 132.31 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.11 119.06 12.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' I' ' 6' ' ' LEU . . . -141.92 126.78 18.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 1.7 pp -129.46 136.33 49.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.421 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.634 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.27 121.79 36.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.305 -179.037 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -117.92 72.62 8.75 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' B' ' 9' ' ' PRO . 32.8 Cg_exo -61.66 143.31 96.48 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.721 2.281 . . . . 0.0 112.14 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' N ' HG21 ' I' ' 2' ' ' THR . 1.8 m-85 -135.87 139.48 43.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.424 ' OXT' ' HB3' ' B' ' 11' ' ' SER . 10.8 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.606 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.707 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.438 HG23 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.42 137.51 35.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.366 . . . . 0.0 111.512 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.799 HD12 ' HE1' ' I' ' 10' ' ' TYR . 3.4 mt -143.04 132.68 21.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.11 118.79 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.096 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 1.081 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -141.92 124.77 16.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 1.7 pp -128.04 136.22 50.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.875 HD12 ' HB1' ' I' ' 4' ' ' ALA . 0.0 OUTLIER -123.44 121.43 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.327 -179.135 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -117.61 72.59 7.85 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.881 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.645 ' HA ' ' HD2' ' C' ' 9' ' ' PRO . 35.8 Cg_exo -60.81 145.05 99.58 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.687 2.258 . . . . 0.0 112.099 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.556 ' N ' HG21 ' J' ' 2' ' ' THR . 1.7 m-85 -137.32 138.27 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.452 ' HB2' ' OG1' ' J' ' 2' ' ' THR . 11.9 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HB2' ' HE2' ' J' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' HG23 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.7 137.23 34.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.414 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.757 HD12 ' HE1' ' J' ' 10' ' ' TYR . 4.0 mt -143.09 132.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -140.2 118.81 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.137 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' K' ' 6' ' ' LEU . . . -141.85 125.14 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' D' ' 6' ' ' LEU . 1.6 pp -128.32 136.08 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.9 HD12 ' HB1' ' J' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.64 36.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.329 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -118.0 72.27 8.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.944 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.645 ' HD2' ' HA ' ' B' ' 9' ' ' PRO . 38.4 Cg_exo -60.37 145.41 98.7 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.732 2.288 . . . . 0.0 112.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 1.7 m-85 -137.56 136.82 37.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.405 ' HB3' ' OXT' ' B' ' 11' ' ' SER . 9.9 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.556 ' HB2' ' HE2' ' K' ' 10' ' ' TYR . 12.9 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.657 0.265 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' THR . . . . . 0.515 HG23 ' HB ' ' C' ' 2' ' ' THR . 0.2 OUTLIER -139.64 137.51 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.772 HD12 ' HE1' ' K' ' 10' ' ' TYR . 4.9 mt -143.22 132.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -140.23 118.7 12.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.041 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 1.06 ' HB1' HD21 ' L' ' 6' ' ' LEU . . . -141.93 126.17 17.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 1.6 pp -129.51 136.25 49.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.961 HD12 ' HB1' ' K' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.69 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.301 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -118.23 72.14 9.32 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.848 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.619 ' HD2' ' HA ' ' C' ' 9' ' ' PRO . 35.0 Cg_exo -60.9 145.31 99.24 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.714 2.276 . . . . 0.0 112.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.535 ' N ' HG21 ' L' ' 2' ' ' THR . 1.7 m-85 -136.91 137.12 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.922 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.413 ' HB2' ' HE2' ' L' ' 10' ' ' TYR . 14.0 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.807 0.336 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 2' ' ' THR . . . . . 0.45 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.54 137.4 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.705 HD12 ' HE1' ' L' ' 10' ' ' TYR . 4.6 mt -143.11 132.38 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -140.14 118.51 12.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.063 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 1.011 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.04 124.94 16.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.512 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 1.6 pp -128.67 136.22 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.631 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.928 HD12 ' HB1' ' L' ' 4' ' ' ALA . 0.0 OUTLIER -123.68 121.46 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.205 -179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -118.11 72.62 9.28 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.606 ' HD2' ' HA ' ' D' ' 9' ' ' PRO . 31.6 Cg_exo -61.39 145.23 98.39 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.81 2.34 . . . . 0.0 112.077 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.519 ' H ' HG21 ' M' ' 2' ' ' THR . 1.7 m-85 -136.16 137.11 40.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 9.8 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.502 ' HB2' ' HE2' ' M' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.733 0.301 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 2' ' ' THR . . . . . 0.441 HG23 ' HB ' ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.5 137.46 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.389 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.728 HD12 ' HE1' ' M' ' 10' ' ' TYR . 5.0 mt -143.31 132.51 20.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 4' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -140.25 118.55 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.118 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' N' ' 6' ' ' LEU . . . -141.94 125.1 16.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 1.7 pp -128.72 136.04 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.51 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' M' ' 4' ' ' ALA . 0.0 OUTLIER -123.58 121.58 35.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.157 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -118.2 72.28 9.33 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' HA ' ' E' ' 9' ' ' PRO . 29.5 Cg_exo -61.31 145.09 98.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.786 2.324 . . . . 0.0 111.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.58 ' H ' HG21 ' N' ' 2' ' ' THR . 1.6 m-85 -135.77 135.94 40.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.485 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 9.3 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.417 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 13.8 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 2' ' ' THR . . . . . 0.497 ' HB ' HG23 ' H' ' 2' ' ' THR . 0.2 OUTLIER -139.36 137.71 35.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.599 ' HB ' HG12 ' F' ' 3' ' ' ILE . 5.3 mt -142.99 132.24 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -140.09 118.24 11.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.032 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' O' ' 6' ' ' LEU . . . -142.26 123.94 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.578 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 1.7 pp -128.48 136.18 50.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.489 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.906 HD12 ' HB1' ' N' ' 4' ' ' ALA . 0.0 OUTLIER -123.49 121.66 36.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -117.98 72.1 8.6 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.72 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' N' ' 4' ' ' ALA . 28.5 Cg_exo -61.5 145.2 98.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.609 2.206 . . . . 0.0 111.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.595 ' H ' HG21 ' O' ' 2' ' ' THR . 1.6 m-85 -135.5 136.33 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 10.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.599 0.237 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 2' ' ' THR . . . . . 0.497 HG23 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.59 137.92 35.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.278 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' P' ' 10' ' ' TYR . 5.2 mt -142.97 131.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 111.232 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.27 118.37 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' P' ' 6' ' ' LEU . . . -142.51 124.12 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.942 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.569 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 1.7 pp -127.97 135.99 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.375 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' O' ' 4' ' ' ALA . 0.0 OUTLIER -123.75 121.62 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.161 -179.362 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -118.38 71.66 9.43 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' O' ' 4' ' ' ALA . 27.2 Cg_exo -61.56 144.95 98.1 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.67 2.247 . . . . 0.0 111.799 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.45 135.57 42.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.941 0.4 . . . . 0.0 111.358 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 8.6 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.745 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 1' ' ' TYR . . . . . 0.439 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.697 0.284 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.547 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.14 35.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' I' I ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' J' ' 3' ' ' ILE . 7.5 mt -143.56 133.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 111.513 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 4' ' ' ALA . . . . . 0.875 ' HB1' HD12 ' B' ' 7' ' ' LEU . . . -140.79 118.66 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.76 121.46 12.6 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 5' ' ' ALA . 1.8 pp -125.78 136.59 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.471 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' I' ' 9' ' ' PRO . 0.0 OUTLIER -123.06 122.39 38.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.372 -179.055 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -116.98 72.16 5.87 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.73 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' I' ' 7' ' ' LEU . 35.3 Cg_exo -59.95 145.4 98.43 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.642 2.228 . . . . 0.0 112.259 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.799 ' HE1' HD12 ' B' ' 3' ' ' ILE . 1.9 m-85 -136.03 138.32 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.353 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 8.9 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.439 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 13.1 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.645 0.259 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.556 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.61 138.3 36.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' J' J ' 3' ' ' ILE . . . . . 0.638 ' HB ' HG12 ' K' ' 3' ' ' ILE . 7.4 mt -143.77 133.75 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.303 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 4' ' ' ALA . . . . . 0.9 ' HB1' HD12 ' C' ' 7' ' ' LEU . . . -140.7 118.86 11.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.71 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 1.081 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 pp -124.95 136.4 53.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.723 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.51 ' C ' ' HD3' ' J' ' 9' ' ' PRO . 0.0 OUTLIER -122.22 122.21 38.62 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.351 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m -116.88 72.08 5.69 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.652 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.51 ' HD3' ' C ' ' J' ' 7' ' ' LEU . 39.3 Cg_exo -60.46 145.49 98.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.656 2.237 . . . . 0.0 112.201 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.757 ' HE1' HD12 ' C' ' 3' ' ' ILE . 1.9 m-85 -136.83 137.91 40.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.1 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.506 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 13.0 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.738 0.304 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.11 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' K' K ' 3' ' ' ILE . . . . . 0.638 HG12 ' HB ' ' J' ' 3' ' ' ILE . 7.3 mt -143.73 133.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 0.0 111.22 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 4' ' ' ALA . . . . . 0.961 ' HB1' HD12 ' D' ' 7' ' ' LEU . . . -140.57 118.76 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 120.53 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' C' ' 5' ' ' ALA . 1.8 pp -125.81 136.21 52.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 110.636 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.502 ' C ' ' HD3' ' K' ' 9' ' ' PRO . 0.0 OUTLIER -122.37 122.3 38.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.491 -179.224 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 71.86 5.95 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.876 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' K' ' 7' ' ' LEU . 39.1 Cg_exo -60.68 145.51 98.77 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.639 2.226 . . . . 0.0 112.286 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.772 ' HE1' HD12 ' D' ' 3' ' ' ILE . 1.9 m-85 -136.69 138.35 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.6 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.506 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.548 ' HB ' HG23 ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.86 137.95 35.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' L' L ' 3' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' M' ' 3' ' ' ILE . 7.7 mt -143.62 133.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.157 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 4' ' ' ALA . . . . . 0.928 ' HB1' HD12 ' E' ' 7' ' ' LEU . . . -140.76 118.67 11.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.299 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.57 122.13 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 1.06 HD21 ' HB1' ' D' ' 5' ' ' ALA . 1.8 pp -127.27 136.33 51.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -122.63 122.14 38.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.395 -179.187 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -117.39 72.23 7.02 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.719 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' L' ' 7' ' ' LEU . 39.6 Cg_exo -60.65 145.58 98.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.74 2.293 . . . . 0.0 112.241 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.705 ' HE1' HD12 ' E' ' 3' ' ' ILE . 1.8 m-85 -137.06 137.28 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 9.2 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.582 HG23 ' HB ' ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.81 138.04 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' M' M ' 3' ' ' ILE . . . . . 0.683 HG12 ' HB ' ' L' ' 3' ' ' ILE . 7.9 mt -143.55 134.36 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.61 118.76 11.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.348 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 121.93 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 1.011 HD21 ' HB1' ' E' ' 5' ' ' ALA . 1.7 pp -127.65 136.11 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.609 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.505 ' C ' ' HD3' ' M' ' 9' ' ' PRO . 0.0 OUTLIER -122.86 121.99 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.101 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.0 72.34 5.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.796 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.56 ' HD2' ' HA ' ' N' ' 9' ' ' PRO . 36.0 Cg_exo -61.06 145.36 99.07 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.728 ' HE1' HD12 ' F' ' 3' ' ' ILE . 1.9 m-85 -137.19 137.45 39.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.474 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.634 HG23 ' HB ' ' O' ' 2' ' ' THR . 0.2 OUTLIER -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.166 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 3' ' ' ILE . . . . . 0.629 HG12 ' HB ' ' M' ' 3' ' ' ILE . 7.4 mt -143.44 133.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.205 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.906 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.52 118.73 12.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.61 125.09 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' F' ' 5' ' ' ALA . 1.8 pp -130.38 136.0 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.509 ' C ' ' HD3' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -122.96 121.97 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.48 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 57.1 m -117.27 71.98 6.56 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.629 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.602 ' HD2' ' HA ' ' O' ' 9' ' ' PRO . 39.5 Cg_exo -60.6 145.51 98.69 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.66 2.24 . . . . 0.0 112.208 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.591 ' HE1' HD12 ' G' ' 3' ' ' ILE . 1.7 m-85 -137.25 137.62 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 10.6 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 12.6 m-85 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.634 ' HB ' HG23 ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.9 137.87 35.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.286 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' O' O ' 3' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' P' ' 3' ' ' ILE . 7.9 mt -143.56 134.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.38 118.48 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.87 124.66 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' G' ' 5' ' ' ALA . 1.8 pp -130.55 136.1 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.594 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.55 HD11 HD22 ' P' ' 7' ' ' LEU . 0.0 OUTLIER -122.98 121.91 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.446 -179.176 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -116.92 71.04 5.3 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.682 ' HD2' ' HA ' ' P' ' 9' ' ' PRO . 33.9 Cg_exo -59.7 145.54 97.87 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' G' ' 3' ' ' ILE . 1.8 m-85 -137.77 137.62 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.483 ' HB3' ' OXT' ' P' ' 11' ' ' SER . 11.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.644 0.259 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.74 137.42 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.372 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 3' ' ' ILE . . . . . 0.761 HG12 ' HB ' ' O' ' 3' ' ' ILE . 8.2 mt -143.57 133.43 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -139.19 118.13 12.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.241 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.92 125.8 16.14 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' H' ' 5' ' ' ALA . 1.9 pp -131.21 136.28 48.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.362 . . . . 0.0 110.433 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.55 HD22 HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -121.64 122.14 38.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.54 73.09 7.91 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.682 ' HA ' ' HD2' ' O' ' 9' ' ' PRO . 27.6 Cg_exo -62.33 144.93 95.89 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.766 2.311 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' H' ' 3' ' ' ILE . 1.8 m-85 -137.9 137.93 38.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.483 ' OXT' ' HB3' ' O' ' 11' ' ' SER . 11.9 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.017 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.08 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' I' ' 8' ' ' SER . 25.6 mt -137.86 137.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 126.32 20.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.607 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 139.44 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.64 6.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.199 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.566 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 m -129.07 70.52 81.67 Favored Pre-proline 0 N--CA 1.457 -0.121 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.701 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.608 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -67.15 142.79 62.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.568 2.179 . . . . 0.0 112.213 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' I' ' 2' ' ' THR . 16.2 m-85 -132.08 140.88 49.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.449 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.87 140.52 38.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.527 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' J' ' 8' ' ' SER . 25.4 mt -137.62 137.18 45.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.91 126.27 20.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.222 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.36 139.42 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.792 179.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.782 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.8 42.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.426 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.3 m -129.38 69.8 81.44 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.753 0.311 . . . . 0.0 110.706 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.0 Cg_endo -65.86 145.38 80.22 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.19 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' J' ' 2' ' ' THR . 14.7 m-85 -133.45 139.42 46.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.543 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.693 0.282 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.36 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.434 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' K' ' 8' ' ' SER . 24.8 mt -138.05 136.98 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.02 126.27 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.299 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.545 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.15 139.56 33.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 111.856 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.24 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.827 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.782 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 120.99 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.64 0.257 . . . . 0.0 110.431 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.52 69.09 81.19 Favored Pre-proline 0 N--CA 1.456 -0.153 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.2 Cg_endo -65.21 145.33 83.91 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.545 2.163 . . . . 0.0 112.164 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.57 ' H ' HG21 ' K' ' 2' ' ' THR . 14.7 m-85 -133.26 137.91 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.57 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.17 37.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.32 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.2 mt -137.45 137.19 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.042 0.449 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.21 126.05 19.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.259 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.557 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.55 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.05 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.63 120.94 42.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.629 0.252 . . . . 0.0 110.524 179.193 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -129.53 69.5 81.4 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.1 Cg_endo -65.39 145.4 83.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.466 2.111 . . . . 0.0 111.922 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.573 ' H ' HG21 ' L' ' 2' ' ' THR . 13.6 m-85 -132.9 138.37 46.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.703 0.287 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.13 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.254 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.8 mt -137.51 137.16 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.38 20.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.864 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.45 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.812 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.95 121.02 42.64 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.452 179.241 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -129.7 69.45 81.52 Favored Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.543 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.0 Cg_endo -66.02 145.34 79.21 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.375 2.05 . . . . 0.0 112.014 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.542 ' H ' HG21 ' M' ' 2' ' ' THR . 14.1 m-85 -132.66 138.11 47.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.507 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.721 0.296 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.31 37.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' N' ' 10' ' ' TYR . 27.7 mt -137.84 136.9 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.257 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.46 20.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.254 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.41 139.09 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.873 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 102.88 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.522 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.787 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 120.99 42.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.649 0.262 . . . . 0.0 110.558 179.124 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -129.83 69.42 81.61 Favored Pre-proline 0 C--N 1.333 -0.113 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 37.1 Cg_endo -66.04 145.1 78.42 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.377 2.051 . . . . 0.0 111.836 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' N' ' 2' ' ' THR . 13.3 m-85 -131.48 138.15 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.059 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.689 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 5.5 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.462 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.71 0.291 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.32 37.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.335 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' O' ' 10' ' ' TYR . 35.5 mt -138.18 137.0 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.09 126.34 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.03 33.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 111.775 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.45 102.92 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.9 120.93 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.47 179.283 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -130.2 69.52 81.94 Favored Pre-proline 0 C--O 1.232 0.14 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 38.4 Cg_endo -66.76 145.19 74.4 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.429 2.086 . . . . 0.0 111.802 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' O' ' 2' ' ' THR . 13.3 m-85 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.088 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.686 0.279 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.38 37.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.285 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' P' ' 8' ' ' SER . 34.3 mt -137.66 136.32 45.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.189 0.519 . . . . 0.0 111.48 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 125.48 18.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.493 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.84 138.57 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.67 103.25 6.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.674 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.64 120.94 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.572 179.312 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -130.1 69.55 81.88 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 41.9 Cg_endo -66.58 143.41 68.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.34 2.026 . . . . 0.0 111.745 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.08 135.92 49.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.578 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.836 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.68 0.276 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.7 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.405 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 mt -137.38 136.62 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 111.724 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 121.7 14.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.582 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.61 139.23 38.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.081 0.467 . . . . 0.0 111.61 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 104.01 6.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.101 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.71 120.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 0.0 110.442 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.496 ' HB2' HD13 ' A' ' 3' ' ' ILE . 38.6 m -129.68 69.27 81.42 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.6 Cg_endo -66.82 145.25 74.24 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.475 2.116 . . . . 0.0 112.135 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.449 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 17.7 m-85 -130.43 141.64 50.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.72 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.781 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.442 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.62 37.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.362 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.75 137.1 45.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.462 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.54 123.99 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.349 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.48 139.36 35.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.378 . . . . 0.0 111.401 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.75 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.21 121.05 43.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.433 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.4 m -130.23 69.45 81.95 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 38.0 Cg_endo -67.2 145.37 72.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.565 2.177 . . . . 0.0 112.189 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 16.2 m-85 -131.38 141.94 49.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.72 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.57 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.383 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.14 137.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.46 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.67 122.96 15.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.399 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.72 139.44 36.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.357 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.659 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.88 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.95 43.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.609 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.447 ' HB2' HD13 ' C' ' 3' ' ' ILE . 46.1 m -129.55 69.08 81.21 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 120.686 0.279 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 37.3 Cg_endo -66.85 145.42 74.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.528 2.152 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.57 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 16.2 m-85 -131.67 141.31 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.711 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.715 0.293 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.573 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.48 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.367 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.07 137.17 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.73 16.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.339 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.65 139.33 34.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.66 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.066 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.46 120.87 43.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.565 0.221 . . . . 0.0 110.527 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.46 ' HB2' HD13 ' D' ' 3' ' ' ILE . 42.8 m -129.84 69.4 81.61 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.666 0.27 . . . . 0.0 110.804 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.8 Cg_endo -67.09 145.36 72.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.243 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 15.4 m-85 -131.52 141.16 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.679 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.659 0.266 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.542 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.73 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.41 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 mt -139.12 136.98 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.087 0.47 . . . . 0.0 111.47 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 124.0 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.14 139.46 35.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.395 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.06 6.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.97 120.83 42.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' E' ' 3' ' ' ILE . 43.9 m -129.76 68.72 81.01 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.4 Cg_endo -66.51 145.69 77.47 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.564 2.176 . . . . 0.0 112.148 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.507 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 15.8 m-85 -132.44 140.76 48.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.702 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.65 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.565 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mt -139.88 136.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.84 123.74 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.213 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.47 36.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.619 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.92 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 120.71 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.581 0.229 . . . . 0.0 110.513 179.391 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.461 ' HB2' HD13 ' F' ' 3' ' ' ILE . 46.9 m -129.96 68.68 81.16 Favored Pre-proline 0 CA--C 1.529 0.164 0 CA-C-O 120.727 0.298 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.3 Cg_endo -66.37 145.85 78.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.494 2.129 . . . . 0.0 112.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.3 m-85 -132.43 140.57 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.94 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.656 -179.387 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 mt -140.29 136.79 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.131 0.491 . . . . 0.0 111.6 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.78 123.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.295 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.81 139.29 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.467 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.638 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.56 7.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.38 39.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.648 0.261 . . . . 0.0 110.475 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.498 ' HB2' HD13 ' G' ' 3' ' ' ILE . 47.6 m -129.31 68.95 80.88 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.539 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.0 Cg_endo -66.49 145.59 77.27 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.536 2.157 . . . . 0.0 112.288 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.1 m-85 -132.73 140.95 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.69 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.698 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.78 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.476 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -138.96 137.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.401 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.59 16.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.33 36.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.607 0.242 . . . . 0.0 111.65 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.638 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.52 107.56 8.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.686 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.38 120.95 41.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.617 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' H' ' 3' ' ' ILE . 37.7 m -130.24 71.12 82.36 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.535 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -68.15 144.92 64.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.566 2.178 . . . . 0.0 112.225 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' H' ' 3' ' ' ILE . 17.3 m-85 -133.27 140.06 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.698 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.721 0.296 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -137.42 137.02 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.019 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.16 126.41 21.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.162 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.6 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.61 139.44 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.35 6.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.817 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -110.93 120.98 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.48 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.46 69.67 81.43 Favored Pre-proline 0 N--CA 1.456 -0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.697 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 48.5 Cg_endo -68.8 142.47 52.46 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.499 2.133 . . . . 0.0 112.173 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' N ' HG21 ' I' ' 2' ' ' THR . 16.0 m-85 -131.35 142.62 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.582 0.229 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.59 140.38 38.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.443 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 mt -137.05 137.08 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 125.67 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.188 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.73 33.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 111.828 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.06 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.871 179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.93 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.182 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -129.23 69.28 81.04 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.4 Cg_endo -67.31 145.19 71.07 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.076 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.532 ' N ' HG21 ' J' ' 2' ' ' THR . 15.0 m-85 -133.58 140.02 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.529 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.733 0.302 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.27 37.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.91 137.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.108 0.48 . . . . 0.0 111.186 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 125.84 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.204 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.4 139.56 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.868 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.17 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.835 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.78 120.93 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.16 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.57 68.6 80.63 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -66.74 145.12 74.27 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.499 2.132 . . . . 0.0 111.957 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.503 ' H ' HG21 ' K' ' 2' ' ' THR . 14.2 m-85 -133.16 139.51 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.548 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.31 37.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.394 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -137.08 137.01 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.98 125.69 19.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.22 139.58 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 111.878 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.617 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 102.97 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.817 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.5 121.03 43.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.364 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.91 68.82 81.28 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.492 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 39.7 Cg_endo -67.27 145.18 71.24 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.12 . . . . 0.0 111.902 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.525 ' H ' HG21 ' L' ' 2' ' ' THR . 14.0 m-85 -132.74 138.64 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.02 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.2 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.37 38.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 125.88 19.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.211 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.27 139.64 33.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 111.808 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.25 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.752 179.629 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 121.03 43.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.42 179.185 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.97 68.51 80.94 Favored Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 38.2 Cg_endo -66.64 144.95 74.32 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.479 2.119 . . . . 0.0 111.8 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.493 ' H ' HG21 ' M' ' 2' ' ' THR . 13.4 m-85 -132.52 139.19 47.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.967 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.536 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.662 0.268 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.21 37.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' N' ' 10' ' ' TYR . 30.6 mt -136.88 137.2 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.022 0.439 . . . . 0.0 111.233 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 125.84 19.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.62 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.833 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.1 6.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.771 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -112.91 120.76 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.367 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -129.92 68.31 80.62 Favored Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.3 Cg_endo -67.1 145.11 72.11 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.376 2.05 . . . . 0.0 111.859 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' N' ' 2' ' ' THR . 13.6 m-85 -131.93 138.82 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.07 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.453 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.21 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' O' ' 10' ' ' TYR . 31.9 mt -137.07 137.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.06 125.65 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.223 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.3 139.48 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.944 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.01 103.03 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.87 42.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.416 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.1 68.42 80.97 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.9 Cg_endo -67.19 145.01 71.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.414 2.076 . . . . 0.0 111.771 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.414 ' H ' HG21 ' O' ' 2' ' ' THR . 13.0 m-85 -131.56 139.03 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.201 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.26 37.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.56 136.59 48.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.155 0.502 . . . . 0.0 111.363 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 123.95 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.536 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.13 138.91 35.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.167 0.508 . . . . 0.0 111.612 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.21 6.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.69 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.16 120.91 42.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.606 0.241 . . . . 0.0 110.528 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -130.07 67.45 79.7 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 41.1 Cg_endo -66.19 143.02 69.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.295 1.996 . . . . 0.0 111.629 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -129.26 137.04 50.84 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 111.668 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.838 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.569 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.07 140.78 38.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.354 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.06 136.27 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.715 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.29 121.58 14.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.602 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.71 139.36 38.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 103.89 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.045 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.84 43.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.69 67.94 79.88 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 40.5 Cg_endo -67.29 145.37 71.81 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.56 2.173 . . . . 0.0 112.117 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 15.2 m-85 -131.25 142.8 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.829 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.432 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.777 0.322 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.532 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.11 140.64 38.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.362 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.34 136.95 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.455 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.09 16.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.38 35.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.313 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.61 103.79 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.94 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.29 120.96 43.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.371 179.385 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.96 68.41 80.81 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.273 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' K' ' 9' ' ' PRO . 42.2 Cg_endo -68.19 145.16 65.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.532 2.155 . . . . 0.0 112.117 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.529 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 14.9 m-85 -131.03 143.81 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.811 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.717 0.294 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.503 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.75 37.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -138.01 136.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.391 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 123.4 16.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.34 139.64 35.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.939 0.4 . . . . 0.0 111.308 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.63 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.963 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.03 120.72 43.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.635 0.255 . . . . 0.0 110.348 179.325 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -130.23 68.37 81.04 Favored Pre-proline 0 C--O 1.231 0.117 0 CA-C-O 120.75 0.309 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 42.1 Cg_endo -68.02 145.24 66.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.524 2.15 . . . . 0.0 112.15 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.548 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 15.8 m-85 -131.34 143.14 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.429 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.769 0.319 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.525 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.56 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.01 136.95 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.45 123.71 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.346 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 139.47 35.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 0.0 111.363 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.97 103.72 6.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.72 120.67 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.607 0.242 . . . . 0.0 110.48 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.84 68.04 80.18 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.726 0.298 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 39.4 Cg_endo -67.41 145.21 70.51 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.492 2.128 . . . . 0.0 112.142 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 16.1 m-85 -131.54 143.0 50.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.648 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.688 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.493 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.55 140.7 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.508 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mt -138.58 136.94 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.086 0.469 . . . . 0.0 111.457 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 123.73 16.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.136 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.97 139.51 34.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.474 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.633 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 103.65 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.023 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.38 120.86 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -130.51 68.25 81.21 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.694 0.283 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 41.2 Cg_endo -67.72 145.38 69.21 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.601 2.201 . . . . 0.0 112.179 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.536 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 16.0 m-85 -131.7 142.06 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.648 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.723 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.72 0.295 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.448 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.559 -179.503 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 36.1 mt -138.85 136.96 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 111.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 122.55 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.322 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.4 139.5 37.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.878 0.371 . . . . 0.0 111.449 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.592 HD13 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.81 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.74 120.63 42.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.1 67.81 80.19 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 39.0 Cg_endo -67.36 145.62 72.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.65 2.233 . . . . 0.0 112.214 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.7 m-85 -132.64 142.1 48.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.647 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.723 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.48 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.84 37.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.558 -179.312 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -139.74 136.63 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.153 0.502 . . . . 0.0 111.617 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 123.65 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.267 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.54 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 0.0 111.391 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.595 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.71 103.88 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.96 120.63 42.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.633 0.254 . . . . 0.0 110.406 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.88 68.12 80.34 Favored Pre-proline 0 CA--C 1.528 0.12 0 CA-C-O 120.763 0.316 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 40.0 Cg_endo -67.78 145.38 68.79 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.447 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.0 m-85 -132.67 141.97 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.672 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.57 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.405 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 33.8 mt -137.65 137.53 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 123.08 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.41 139.41 35.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.626 0.251 . . . . 0.0 111.669 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.595 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 106.49 8.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.17 120.85 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.49 69.42 82.16 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 47.2 Cg_endo -68.83 145.17 61.67 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.542 2.161 . . . . 0.0 112.264 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -132.95 142.99 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.3 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 139.93 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.55 137.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 126.22 20.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.213 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.4 139.31 33.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.13 103.96 6.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.87 43.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.382 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 69.46 80.41 Favored Pre-proline 0 N--CA 1.456 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -66.91 143.61 67.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.521 2.147 . . . . 0.0 112.0 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' N ' HG21 ' I' ' 2' ' ' THR . 13.8 m-85 -131.95 142.11 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 4.4 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.048 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.432 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.768 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.13 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.351 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -136.04 137.28 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.22 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.59 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.31 6.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.757 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.77 42.5 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.35 179.121 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.95 68.54 79.75 Favored Pre-proline 0 N--CA 1.456 -0.155 0 CA-C-O 120.748 0.308 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.67 145.39 81.41 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.555 ' N ' HG21 ' J' ' 2' ' ' THR . 12.7 m-85 -132.99 139.26 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.556 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.512 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.702 0.286 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.19 37.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.384 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' K' ' 10' ' ' TYR . 25.2 mt -136.44 137.16 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 126.54 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.46 33.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.845 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.594 HD13 ' O ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 103.29 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.761 179.643 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.84 120.62 41.36 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.334 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.02 68.75 80.29 Favored Pre-proline 0 C--N 1.333 -0.122 0 CA-C-O 120.725 0.297 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.537 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 35.8 Cg_endo -65.47 145.43 82.6 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.474 2.116 . . . . 0.0 112.0 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.512 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.84 138.41 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.779 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.59 0.234 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.15 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.273 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -136.51 137.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 126.39 19.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.53 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.22 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.777 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.37 120.91 42.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.045 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.52 68.66 80.68 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.683 0.278 . . . . 0.0 110.919 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.541 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.45 145.3 82.45 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.149 . . . . 0.0 111.915 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 12.6 m-85 -132.54 137.44 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.504 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.733 0.301 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.14 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.239 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.3 mt -136.41 136.97 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.008 0.433 . . . . 0.0 111.235 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.29 19.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.25 139.35 33.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.885 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.21 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.95 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.91 42.62 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.415 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.34 68.16 79.77 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.983 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.4 Cg_endo -64.94 145.03 84.75 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.404 2.069 . . . . 0.0 111.867 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' M' ' 2' ' ' THR . 12.1 m-85 -131.72 137.96 48.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.665 0.269 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.14 37.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.226 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.449 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.2 mt -136.6 137.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 111.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.3 19.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.43 33.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.803 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.645 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 103.11 6.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.54 121.02 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.65 0.262 . . . . 0.0 110.385 179.186 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 68.12 80.0 Favored Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.1 144.56 82.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.403 2.068 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' N' ' 2' ' ' THR . 12.0 m-85 -130.99 137.46 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.042 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 2.8 t . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.444 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.814 0.34 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.27 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' O' ' 10' ' ' TYR . 30.3 mt -136.75 137.03 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 126.26 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.569 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.41 139.3 33.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 111.797 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 102.93 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.4 120.92 42.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.654 0.264 . . . . 0.0 110.411 179.092 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.81 68.05 80.15 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.0 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.3 Cg_endo -65.42 144.84 81.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.412 2.075 . . . . 0.0 111.766 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -130.74 137.25 49.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.201 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 2.1 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.715 0.293 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.18 37.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -135.85 136.36 50.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 111.387 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 124.24 17.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.607 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.46 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.19 138.43 35.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.045 0.45 . . . . 0.0 111.612 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 103.18 6.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.642 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.04 120.92 41.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.376 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.51 68.37 80.26 Favored Pre-proline 0 C--O 1.233 0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.479 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 39.4 Cg_endo -65.75 142.29 69.42 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.45 2.1 . . . . 0.0 111.684 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -127.65 136.89 52.23 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.787 0.327 . . . . 0.0 111.577 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.552 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 1.5 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.788 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.699 0.285 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.553 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.65 37.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.442 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -136.21 136.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.199 0.523 . . . . 0.0 111.752 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.46 122.01 15.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.679 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.47 139.02 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.471 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.04 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.07 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.61 120.69 41.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.635 0.255 . . . . 0.0 110.329 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.5 68.0 77.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.9 Cg_endo -66.21 145.32 78.02 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.479 2.119 . . . . 0.0 111.956 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.432 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.8 m-85 -131.09 141.52 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.616 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 1.6 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.849 0.357 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.555 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.54 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.387 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -136.61 137.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.47 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.48 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.398 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.34 36.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.283 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 103.75 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.047 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.98 120.79 43.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.457 179.301 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 68.09 78.72 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-O 120.666 0.27 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.526 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.7 Cg_endo -66.89 144.6 71.35 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.512 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.8 m-85 -130.16 142.57 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.617 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.512 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.55 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.414 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 37.6 mt -137.19 136.91 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.469 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 123.57 16.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.323 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.86 139.37 36.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.25 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.666 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.81 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.03 120.65 42.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 179.365 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.2 68.18 79.64 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.658 0.266 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 38.0 Cg_endo -66.63 145.37 75.71 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.396 2.064 . . . . 0.0 112.239 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 13.4 m-85 -131.19 141.66 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.5 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.75 0.309 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.29 140.67 37.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.383 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -137.2 137.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.71 123.26 16.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.35 36.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 111.25 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 104.27 6.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.65 120.73 42.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.416 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.5 67.99 79.71 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.733 0.302 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 38.0 Cg_endo -66.64 145.31 75.51 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.481 2.121 . . . . 0.0 112.091 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 13.0 m-85 -130.91 142.39 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.653 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 2.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.583 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.46 140.67 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.435 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 mt -137.7 137.16 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.039 0.447 . . . . 0.0 111.467 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.47 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.351 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.93 139.24 36.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 111.42 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.628 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.97 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.37 120.69 42.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.393 179.318 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.6 68.46 80.48 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 37.7 Cg_endo -67.02 145.19 72.81 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.408 2.072 . . . . 0.0 112.196 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.2 m-85 -130.96 141.38 50.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.583 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.496 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.1 137.02 44.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.103 0.478 . . . . 0.0 111.462 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.79 122.6 15.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.84 139.41 38.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.375 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.01 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.04 120.64 42.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.422 179.319 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 67.68 79.32 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.707 0.289 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.66 145.61 82.0 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.542 2.161 . . . . 0.0 112.188 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.449 ' CE1' HD11 ' F' ' 3' ' ' ILE . 13.3 m-85 -131.66 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.649 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.575 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.821 0.343 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.54 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.583 -179.477 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' O' O ' 3' ' ' ILE . . . . . 0.437 ' HB ' HG12 ' P' ' 3' ' ' ILE . 41.2 mt -138.12 137.05 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 111.504 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.93 122.89 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.311 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 139.39 37.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.656 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.85 7.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.51 40.38 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.311 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.31 67.8 79.21 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.8 Cg_endo -65.96 145.75 80.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.081 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' G' ' 3' ' ' ILE . 13.7 m-85 -132.37 141.15 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.646 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.61 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.34 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB ' ' O' ' 3' ' ' ILE . 36.3 mt -137.66 137.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.368 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.24 123.17 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.38 36.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.525 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.656 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 109.12 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 179.649 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.683 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.54 120.62 39.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.412 179.471 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 69.85 81.74 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.857 0.36 . . . . 0.0 111.016 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.3 Cg_endo -67.41 145.18 70.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.583 2.188 . . . . 0.0 112.078 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -132.9 140.42 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 4.2 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.35 37.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' I' ' 8' ' ' SER . 23.3 mt -138.15 137.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.85 128.08 22.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.605 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.18 139.41 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.6 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 179.306 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.449 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -128.81 69.41 80.17 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.9 Cg_endo -66.95 143.2 65.24 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.055 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.574 ' N ' HG21 ' I' ' 2' ' ' THR . 13.6 m-85 -132.29 142.64 49.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.698 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.523 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.41 37.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.356 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' J' ' 8' ' ' SER . 19.5 mt -137.59 137.2 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 128.04 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.34 139.23 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.825 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.72 103.0 5.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.86 179.442 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.763 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.14 120.71 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.163 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -128.9 68.61 79.66 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.576 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.9 Cg_endo -65.18 145.42 84.27 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.346 2.03 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' J' ' 2' ' ' THR . 12.4 m-85 -133.53 139.18 46.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.11 37.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.501 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' K' ' 8' ' ' SER . 21.5 mt -137.48 137.14 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.67 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.894 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.09 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.765 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.15 120.72 42.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.012 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.23 68.78 80.55 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.681 0.277 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.2 Cg_endo -65.86 145.45 80.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.413 2.075 . . . . 0.0 112.083 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.555 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.89 138.73 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.35 37.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.325 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' L' ' 8' ' ' SER . 23.0 mt -137.7 137.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.05 127.76 21.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.25 139.26 33.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.811 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.01 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.895 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.87 42.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.26 68.56 80.26 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 33.8 Cg_endo -65.21 145.21 83.6 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.41 2.073 . . . . 0.0 111.976 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' L' ' 2' ' ' THR . 12.2 m-85 -132.6 138.78 47.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.23 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' M' ' 8' ' ' SER . 26.9 mt -137.52 137.17 45.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 127.81 21.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.291 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.574 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 111.834 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.6 103.02 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 121.26 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.79 68.41 80.62 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.8 Cg_endo -65.16 145.26 84.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.391 2.061 . . . . 0.0 111.865 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.546 ' H ' HG21 ' M' ' 2' ' ' THR . 11.7 m-85 -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.95 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.496 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.34 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.307 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' N' ' 8' ' ' SER . 27.6 mt -137.5 137.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.17 127.6 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.356 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.37 139.39 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.844 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.48 103.16 6.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.857 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.39 121.21 43.66 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.451 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -129.85 67.92 80.03 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.741 0.305 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.32 144.76 81.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.408 2.072 . . . . 0.0 111.771 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' N' ' 2' ' ' THR . 11.3 m-85 -131.57 139.07 49.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.494 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.661 0.267 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.23 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.338 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' O' ' 8' ' ' SER . 29.5 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.247 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 127.53 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.282 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.33 139.4 33.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.4 . . . . 0.0 111.729 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.29 102.99 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.864 179.557 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.32 120.84 42.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.43 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.9 68.27 80.55 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.8 Cg_endo -66.12 144.49 75.67 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.393 2.062 . . . . 0.0 111.51 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -130.42 139.05 50.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.193 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.421 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.757 0.313 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.47 37.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.337 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' P' ' 8' ' ' SER . 33.9 mt -137.67 136.63 45.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.25 0.548 . . . . 0.0 111.43 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 126.93 20.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.583 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.93 138.53 33.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.626 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.83 103.37 6.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.76 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.28 121.14 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.533 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.95 67.71 79.88 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.9 Cg_endo -65.18 143.12 76.6 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.339 2.026 . . . . 0.0 111.56 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -128.83 136.98 51.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.36 . . . . 0.0 111.576 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.815 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.736 0.303 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.574 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.75 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.49 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.02 136.71 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.089 0.471 . . . . 0.0 111.635 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.86 16.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.626 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.8 138.99 38.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.539 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 104.91 7.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.144 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.06 120.79 41.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.52 0.2 . . . . 0.0 110.493 179.314 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.539 ' HB2' HD13 ' A' ' 3' ' ' ILE . 5.4 m -129.0 68.48 79.87 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.618 0.246 . . . . 0.0 111.002 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.27 145.17 77.25 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.048 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 12.7 m-85 -130.86 142.91 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.66 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.358 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -137.7 137.12 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 125.09 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.275 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.41 36.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.926 0.393 . . . . 0.0 111.265 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.92 103.89 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.78 120.92 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.44 179.299 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.523 ' HB2' HD13 ' B' ' 3' ' ' ILE . 5.0 m -129.51 68.09 79.86 Favored Pre-proline 0 C--O 1.232 0.155 0 CA-C-O 120.704 0.288 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.576 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 38.8 Cg_endo -67.12 145.24 72.37 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.48 2.12 . . . . 0.0 112.173 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 12.8 m-85 -131.22 144.02 51.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.024 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.789 0.328 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.555 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.56 37.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -138.02 136.87 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.332 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.38 125.92 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.92 139.19 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.335 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.87 6.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.081 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.92 43.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.455 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' C' ' 3' ' ' ILE . 4.3 m -129.6 68.43 80.43 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 38.1 Cg_endo -67.19 145.35 72.35 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.496 2.131 . . . . 0.0 112.048 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.7 m-85 -131.47 142.76 50.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.76 37.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.421 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mt -138.55 136.9 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.58 124.94 17.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.283 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.34 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.97 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.951 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.26 120.75 42.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.612 0.244 . . . . 0.0 110.51 179.367 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.506 ' HB2' HD13 ' D' ' 3' ' ' ILE . 5.2 m -129.34 67.89 79.4 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-O 120.647 0.261 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.545 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.6 Cg_endo -66.55 145.55 76.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.179 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.2 m-85 -131.81 142.64 49.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.546 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.52 140.76 37.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -139.15 136.89 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.086 0.469 . . . . 0.0 111.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.63 125.14 17.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.241 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.25 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.356 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.25 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.8 42.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' E' ' 3' ' ' ILE . 4.7 m -129.91 67.88 80.05 Favored Pre-proline 0 CA--C 1.528 0.113 0 CA-C-O 120.765 0.317 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.6 Cg_endo -66.02 145.62 80.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.546 2.164 . . . . 0.0 112.14 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.504 ' CE1' HD11 ' E' ' 3' ' ' ILE . 12.4 m-85 -131.5 142.86 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.555 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.78 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.603 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.87 136.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.499 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.464 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.76 124.66 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 139.74 36.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.496 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.609 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.91 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.129 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.62 120.76 42.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.329 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.536 ' HB2' HD13 ' F' ' 3' ' ' ILE . 4.8 m -129.87 68.12 80.32 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-O 120.679 0.276 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -66.22 145.86 79.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.612 2.208 . . . . 0.0 112.202 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.494 ' CE1' HD11 ' F' ' 3' ' ' ILE . 12.7 m-85 -132.4 142.02 49.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.76 0.314 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.38 140.94 37.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.539 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.1 136.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 111.538 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 125.18 17.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.363 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.4 36.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.393 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.635 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 105.12 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.056 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.87 120.77 41.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.436 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.543 ' HB2' HD13 ' G' ' 3' ' ' ILE . 4.5 m -129.57 67.74 79.44 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 145.57 81.19 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.508 2.139 . . . . 0.0 112.174 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' G' ' 3' ' ' ILE . 12.6 m-85 -132.57 142.51 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.61 37.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.17 137.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.32 124.12 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.24 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.37 139.37 37.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.657 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.635 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.78 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.59 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.699 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.21 120.99 41.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.485 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' H' ' 3' ' ' ILE . 4.9 m -130.61 70.25 82.4 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.052 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.61 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 43.1 Cg_endo -68.07 145.05 65.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.581 2.187 . . . . 0.0 112.144 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.8 m-85 -132.81 142.26 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.951 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.1 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.401 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' I' ' 8' ' ' SER . 28.1 mt -138.35 137.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.84 126.61 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.15 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.43 139.48 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.85 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.29 120.88 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.543 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -129.13 69.24 80.92 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-O 120.828 0.347 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 40.0 Cg_endo -67.44 142.31 59.11 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.512 2.142 . . . . 0.0 112.155 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' N ' HG21 ' I' ' 2' ' ' THR . 13.3 m-85 -132.46 142.08 49.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 1.3 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.525 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.646 0.26 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.29 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.541 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' J' ' 8' ' ' SER . 21.7 mt -138.16 136.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.82 126.54 20.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.58 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.37 139.42 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 0.0 111.863 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.36 103.14 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.804 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.6 41.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.45 179.203 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -129.42 68.78 80.74 Favored Pre-proline 0 C--O 1.232 0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.2 Cg_endo -66.3 145.23 77.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.535 2.157 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 12.9 m-85 -134.26 138.87 45.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.748 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 1.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.755 0.312 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.358 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' K' ' 8' ' ' SER . 25.8 mt -137.87 137.15 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.64 20.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.301 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.572 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.51 139.57 33.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.961 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.38 102.97 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.797 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.18 121.03 43.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 179.058 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -129.8 68.61 80.9 Favored Pre-proline 0 C--O 1.231 0.123 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.87 145.26 79.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.15 . . . . 0.0 112.06 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.557 ' H ' HG21 ' K' ' 2' ' ' THR . 12.5 m-85 -134.3 138.86 45.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.552 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.776 0.322 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.15 37.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.467 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' L' ' 8' ' ' SER . 28.8 mt -138.29 136.54 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.49 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.234 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.44 139.51 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.951 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 103.12 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.815 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.25 120.94 42.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.447 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -129.5 68.35 80.23 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 144.73 78.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.382 2.054 . . . . 0.0 111.868 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.52 ' H ' HG21 ' L' ' 2' ' ' THR . 11.9 m-85 -133.32 138.78 46.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.12 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.305 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' M' ' 8' ' ' SER . 31.3 mt -138.32 136.72 44.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 126.67 20.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.232 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.5 139.42 33.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.92 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.79 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.836 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.83 42.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.66 0.267 . . . . 0.0 110.488 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.56 68.37 80.32 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.7 Cg_endo -65.99 144.58 76.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.342 2.028 . . . . 0.0 111.951 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.508 ' H ' HG21 ' M' ' 2' ' ' THR . 12.0 m-85 -132.9 138.92 47.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.986 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.81 140.23 38.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.419 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' N' ' 8' ' ' SER . 31.8 mt -138.62 136.62 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.479 . . . . 0.0 111.238 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.68 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.19 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 0.0 111.816 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.14 103.02 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.724 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.99 42.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.651 0.262 . . . . 0.0 110.399 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.07 67.79 80.14 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.971 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.495 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 36.9 Cg_endo -65.55 144.85 80.53 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.385 2.056 . . . . 0.0 111.766 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.462 ' H ' HG21 ' N' ' 2' ' ' THR . 11.8 m-85 -132.67 138.91 47.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.938 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 18.5 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.37 37.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.363 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' O' ' 8' ' ' SER . 32.2 mt -138.48 136.78 43.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.247 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.59 20.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.35 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.58 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.29 139.5 33.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 111.884 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 102.99 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.784 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.84 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.397 179.18 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.32 67.87 80.53 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.515 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.2 Cg_endo -66.37 145.01 76.13 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.349 2.032 . . . . 0.0 111.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.428 ' H ' HG21 ' O' ' 2' ' ' THR . 11.8 m-85 -132.21 138.57 48.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.242 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.472 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.29 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' P' ' 8' ' ' SER . 35.2 mt -138.42 136.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.221 0.534 . . . . 0.0 111.336 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 125.11 18.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.506 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.31 138.79 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.145 0.498 . . . . 0.0 111.707 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.57 103.22 6.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.682 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.665 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.35 120.98 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.469 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.14 67.11 79.35 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.8 Cg_endo -65.39 142.54 72.83 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.404 2.07 . . . . 0.0 111.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -129.18 138.79 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.812 0.339 . . . . 0.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.896 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.562 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.72 37.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.79 136.42 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.256 0.551 . . . . 0.0 111.618 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 122.03 15.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.635 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.04 139.01 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.0 111.547 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.75 6.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.86 42.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.646 0.26 . . . . 0.0 110.381 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 3' ' ' ILE . 4.0 m -130.0 67.88 80.15 Favored Pre-proline 0 CA--C 1.528 0.101 0 CA-C-O 120.718 0.294 . . . . 0.0 110.982 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.49 145.2 76.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.496 2.131 . . . . 0.0 112.164 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.5 m-85 -131.55 142.07 49.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.829 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.726 0.298 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.66 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.442 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.3 136.73 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.331 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.8 16.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.455 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.5 139.3 35.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.285 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.91 103.57 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -111.83 120.72 42.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.367 179.501 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.492 ' HB2' HD13 ' B' ' 3' ' ' ILE . 4.3 m -129.58 67.98 79.79 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.66 0.267 . . . . 0.0 110.787 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 37.3 Cg_endo -66.69 145.21 74.87 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.48 2.12 . . . . 0.0 112.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.0 m-85 -132.12 142.64 49.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.525 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.764 0.316 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.557 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.62 37.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.63 136.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.339 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 123.79 16.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.56 139.5 35.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.903 0.382 . . . . 0.0 111.358 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.76 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.89 43.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.47 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.497 ' HB2' HD13 ' C' ' 3' ' ' ILE . 3.7 m -129.96 67.36 79.44 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 36.7 Cg_endo -65.84 145.58 80.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.569 2.179 . . . . 0.0 112.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.552 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.6 m-85 -132.69 141.15 48.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.437 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.533 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.666 0.269 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.52 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.67 37.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.403 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -139.12 136.84 42.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.403 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 123.97 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.202 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.47 139.51 35.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 111.408 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 103.93 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.3 120.81 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.517 ' HB2' HD13 ' D' ' 3' ' ' ILE . 3.4 m -130.28 67.78 80.37 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-O 120.677 0.275 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 37.2 Cg_endo -66.29 145.63 78.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.9 m-85 -132.88 141.69 48.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.722 0.296 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.508 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.44 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.583 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -139.47 136.82 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 0.0 111.397 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.79 123.65 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.326 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 139.51 36.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.492 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.12 103.83 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.59 120.9 43.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.516 ' HB2' HD13 ' E' ' 3' ' ' ILE . 3.7 m -130.21 67.66 80.13 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.707 0.289 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.3 Cg_endo -66.08 145.71 79.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.493 2.129 . . . . 0.0 112.152 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.1 m-85 -133.14 141.14 47.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' N' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.695 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.723 0.296 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.462 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.62 140.57 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.546 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.13 136.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.062 0.458 . . . . 0.0 111.406 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.88 123.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.282 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.31 139.42 35.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 0.0 111.499 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.23 104.08 6.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.71 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' F' ' 3' ' ' ILE . 3.1 m -130.22 67.44 79.86 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.676 0.274 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 36.3 Cg_endo -65.76 145.56 81.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.519 2.146 . . . . 0.0 112.265 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 13.4 m-85 -133.4 140.76 47.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.798 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.008 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.762 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.88 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.714 -179.319 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -140.84 136.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.622 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.59 124.13 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 139.34 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.535 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.96 6.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.96 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.02 120.51 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.415 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.522 ' HB2' HD13 ' G' ' 3' ' ' ILE . 3.2 m -129.68 67.54 79.31 Favored Pre-proline 0 CA--C 1.528 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.599 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 35.7 Cg_endo -65.66 145.73 82.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.225 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.472 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 13.6 m-85 -134.12 141.27 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.508 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.64 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.779 0.323 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.7 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.381 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.91 137.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.246 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.4 16.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.57 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 111.695 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.623 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.07 8.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.814 179.61 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.661 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.397 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' H' ' 3' ' ' ILE . 3.3 m -130.56 69.93 82.31 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.599 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.5 Cg_endo -68.18 145.11 65.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.575 2.183 . . . . 0.0 112.253 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -134.27 141.16 46.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.79 140.13 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 mt -139.0 137.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.74 126.33 20.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.604 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.29 139.2 33.61 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.62 103.42 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.24 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.67 120.91 43.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 110.591 179.358 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -129.33 70.42 81.75 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 41.5 Cg_endo -68.0 143.71 61.22 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.516 2.144 . . . . 0.0 112.085 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' I' ' 2' ' ' THR . 18.5 m-85 -131.74 140.67 49.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.419 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.688 0.28 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.98 140.27 38.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 mt -138.47 136.9 43.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.052 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.83 125.57 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -140.73 139.41 34.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 111.917 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.51 103.3 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.792 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.8 42.02 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.403 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.05 70.12 81.41 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.3 Cg_endo -66.86 145.46 74.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.44 2.093 . . . . 0.0 112.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.554 ' N ' HG21 ' J' ' 2' ' ' THR . 17.0 m-85 -132.96 140.11 47.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.609 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.692 0.282 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.3 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' K' ' 10' ' ' TYR . 20.0 mt -138.87 136.86 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.473 . . . . 0.0 111.152 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.58 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.287 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.36 139.22 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 111.817 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.597 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.752 179.585 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.67 120.75 41.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.454 179.167 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -128.99 69.9 81.2 Favored Pre-proline 0 C--N 1.333 -0.145 0 CA-C-O 120.737 0.303 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.89 145.16 73.48 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.424 2.083 . . . . 0.0 112.1 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.533 ' H ' HG21 ' K' ' 2' ' ' THR . 17.1 m-85 -132.29 139.19 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.14 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' L' ' 10' ' ' TYR . 20.6 mt -138.76 136.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 126.28 20.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.245 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.54 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.26 139.28 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.25 6.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -114.03 120.77 41.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.442 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -129.22 69.55 81.18 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.5 Cg_endo -66.4 145.28 76.79 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' L' ' 2' ' ' THR . 16.8 m-85 -132.53 137.12 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.917 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.557 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.649 0.261 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.19 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.404 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.486 HD11 ' HE1' ' M' ' 10' ' ' TYR . 22.2 mt -138.65 136.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 126.07 19.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.231 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.53 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.33 139.41 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 111.891 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.46 103.02 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.851 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.6 120.87 42.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.607 0.241 . . . . 0.0 110.444 179.089 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 13.8 m -129.62 69.94 81.68 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 38.6 Cg_endo -67.14 145.1 71.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.43 2.086 . . . . 0.0 111.931 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.547 ' H ' HG21 ' M' ' 2' ' ' THR . 16.0 m-85 -131.59 137.31 48.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.599 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.557 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.767 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.28 37.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.378 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' N' ' 10' ' ' TYR . 24.6 mt -138.96 136.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 126.3 19.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.211 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.4 139.22 33.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.718 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.644 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.89 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.805 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 120.91 42.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.631 0.253 . . . . 0.0 110.487 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -129.81 69.78 81.74 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.514 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.4 Cg_endo -67.0 145.1 72.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.379 2.053 . . . . 0.0 111.913 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' N' ' 2' ' ' THR . 15.2 m-85 -131.26 137.95 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 3.9 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.492 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.56 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.365 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.3 mt -138.91 136.87 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.13 19.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.266 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.568 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.36 139.15 33.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 111.863 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.56 102.9 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.796 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.82 121.02 42.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -129.99 69.57 81.8 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.49 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 41.8 Cg_endo -67.52 143.35 62.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.381 2.054 . . . . 0.0 111.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -128.79 138.48 52.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.652 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.32 38.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' P' ' 10' ' ' TYR . 29.0 mt -138.74 135.96 43.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.207 0.527 . . . . 0.0 111.464 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 124.76 18.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.611 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.41 138.21 34.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.635 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.07 6.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.691 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.5 121.06 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 0.0 110.431 179.259 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -129.76 69.29 81.5 Favored Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.2 Cg_endo -67.06 143.61 66.24 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.327 2.018 . . . . 0.0 111.748 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -128.6 137.28 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 11' ' ' SER . . . . . 0.634 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.826 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.1 140.74 38.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.396 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 mt -138.85 136.15 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.155 0.503 . . . . 0.0 111.593 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 121.25 14.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.632 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.0 139.05 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.036 0.446 . . . . 0.0 111.525 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.91 6.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.061 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.65 120.82 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.231 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -129.15 68.9 80.65 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 39.3 Cg_endo -67.26 145.02 70.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.561 2.174 . . . . 0.0 112.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.419 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.4 m-85 -129.99 142.34 50.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.135 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.699 0.285 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.554 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.84 37.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.457 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 mt -139.2 136.68 41.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.486 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.59 123.41 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.44 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.08 35.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 111.377 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.95 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.71 120.9 43.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.405 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -129.61 69.35 81.39 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 40.9 Cg_endo -67.96 145.34 67.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.481 2.121 . . . . 0.0 112.153 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 17.6 m-85 -130.58 143.0 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.695 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.805 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.4 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.533 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.38 140.68 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.423 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.44 136.73 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.52 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.275 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.29 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.344 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 103.53 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.97 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.05 120.69 42.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.39 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -129.91 69.38 81.66 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -68.17 145.33 66.24 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.525 2.15 . . . . 0.0 112.185 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 17.7 m-85 -130.41 142.73 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.657 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.711 0.291 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.46 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.422 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.56 136.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.73 123.57 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.368 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.33 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 111.261 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.9 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.916 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.92 120.51 41.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.227 . . . . 0.0 110.5 179.377 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 11.9 m -129.13 68.87 80.59 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.708 0.29 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.547 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 39.0 Cg_endo -67.53 145.49 70.77 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.533 2.155 . . . . 0.0 112.224 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' D' ' 3' ' ' ILE . 17.8 m-85 -131.08 142.12 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.657 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.547 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.457 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mt -139.84 136.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.357 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.365 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.54 139.24 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.403 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.61 HD13 ' O ' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.93 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.84 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.449 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m -129.6 68.58 80.64 Favored Pre-proline 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.566 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 38.0 Cg_endo -67.22 145.56 72.9 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.674 2.25 . . . . 0.0 112.211 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -131.32 142.29 50.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.712 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.718 0.294 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.62 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.589 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.59 136.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.348 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.64 123.23 16.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.218 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.41 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.538 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.631 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 104.25 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.978 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.96 120.7 41.54 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.426 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.95 68.91 81.44 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.566 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 37.8 Cg_endo -66.98 145.82 75.26 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.664 2.242 . . . . 0.0 112.228 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.492 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 17.8 m-85 -131.78 141.12 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.712 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.61 140.93 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -141.01 136.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.8 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.275 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 139.29 37.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.644 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.71 6.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.5 120.53 40.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.442 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -129.68 68.88 81.13 Favored Pre-proline 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.323 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.548 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.6 Cg_endo -66.92 146.02 76.28 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.194 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' G' ' 3' ' ' ILE . 17.7 m-85 -132.29 141.59 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.634 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.331 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.69 37.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -140.01 137.37 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.373 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.48 122.74 15.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.95 139.04 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.536 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.644 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.74 107.87 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.599 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.17 120.67 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.489 179.598 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -129.73 70.94 82.19 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.0 Cg_endo -69.0 145.24 60.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.562 2.175 . . . . 0.0 112.187 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.545 ' CE1' HD11 ' H' ' 3' ' ' ILE . 18.8 m-85 -132.87 141.14 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.677 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.11 37.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' I' ' 8' ' ' SER . 21.8 mt -138.39 137.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.17 128.37 23.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.601 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 138.89 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.7 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.889 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.61 120.95 43.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.629 0.252 . . . . 0.0 110.614 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -128.61 69.8 79.72 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.715 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.647 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.69 141.62 60.73 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.179 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' N ' HG21 ' I' ' 2' ' ' THR . 11.2 m-85 -132.35 141.9 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.745 0.307 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.39 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.518 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' J' ' 8' ' ' SER . 24.7 mt -138.29 137.21 44.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.6 127.89 22.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.307 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 139.13 33.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.821 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.597 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.75 103.48 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.833 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.72 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.385 179.121 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -128.87 69.1 80.21 Favored Pre-proline 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.66 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.647 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.2 Cg_endo -65.37 145.07 82.34 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.517 2.144 . . . . 0.0 112.037 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' J' ' 2' ' ' THR . 10.6 m-85 -134.8 141.55 46.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.555 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.14 37.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' K' ' 8' ' ' SER . 26.1 mt -137.96 137.23 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.055 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 128.13 22.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.326 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.37 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.951 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.28 6.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.856 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.02 120.71 41.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.434 179.108 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -129.09 68.9 80.59 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 32.8 Cg_endo -64.5 145.36 87.45 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.511 2.14 . . . . 0.0 112.021 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.54 ' H ' HG21 ' K' ' 2' ' ' THR . 10.1 m-85 -134.76 139.5 45.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.648 0.261 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.88 140.41 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.495 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.7 mt -138.25 137.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.89 128.47 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.581 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.28 138.84 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.857 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.42 6.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.887 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -114.35 120.82 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 110.44 179.143 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.3 68.98 80.91 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -65.37 145.29 82.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.397 2.065 . . . . 0.0 112.056 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.571 ' H ' HG21 ' L' ' 2' ' ' THR . 10.5 m-85 -134.39 138.37 44.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.904 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.49 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.745 0.307 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.06 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.316 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' M' ' 8' ' ' SER . 28.5 mt -138.05 137.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 128.17 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.431 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.16 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 111.907 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.47 103.63 6.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.3 120.81 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.49 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -129.34 68.59 80.39 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.2 Cg_endo -64.95 145.23 85.15 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.52 2.146 . . . . 0.0 111.878 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.523 ' H ' HG21 ' M' ' 2' ' ' THR . 10.1 m-85 -134.19 138.87 45.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.735 0.303 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.21 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.278 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' N' ' 10' ' ' TYR . 29.0 mt -138.25 137.17 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 127.9 21.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.556 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.35 139.21 33.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.385 . . . . 0.0 111.852 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.61 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.31 6.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.912 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.781 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.8 120.92 42.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.493 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -129.64 68.56 80.65 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 36.7 Cg_endo -65.21 145.18 83.54 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.443 2.095 . . . . 0.0 111.784 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' N' ' 2' ' ' THR . 9.5 m-85 -133.34 138.76 46.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.792 0.329 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.19 37.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.6 mt -137.98 137.05 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 127.73 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.573 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 138.94 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.007 0.432 . . . . 0.0 111.695 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.77 103.12 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.027 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.93 120.97 42.52 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.474 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 46.5 m -129.66 68.73 80.92 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.758 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.92 145.04 78.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.363 2.042 . . . . 0.0 111.865 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.454 ' H ' HG21 ' O' ' 2' ' ' THR . 9.8 m-85 -132.83 136.9 46.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.178 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 11' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.827 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.38 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.398 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' P' ' 8' ' ' SER . 39.2 mt -137.5 136.58 46.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.147 0.499 . . . . 0.0 111.362 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.58 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.646 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.541 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -139.84 137.6 35.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.147 0.498 . . . . 0.0 111.615 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.72 103.23 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.718 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.66 120.99 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.543 179.263 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 46.4 m -129.62 68.17 80.1 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.494 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.7 Cg_endo -65.23 142.57 74.03 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.425 2.083 . . . . 0.0 111.653 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -129.94 137.18 50.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.88 0.371 . . . . 0.0 111.502 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.89 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.752 0.311 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.558 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.7 37.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.429 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.79 136.75 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 111.625 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.96 16.02 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.651 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.1 138.83 39.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.568 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.635 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.9 105.45 7.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.121 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.98 120.89 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.646 0.26 . . . . 0.0 110.457 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . 51.0 m -129.0 68.19 79.44 Favored Pre-proline 0 C--O 1.231 0.125 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.3 Cg_endo -65.72 145.13 80.39 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.481 2.12 . . . . 0.0 112.067 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 10.3 m-85 -132.12 142.17 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.724 0.297 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.54 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -138.41 137.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.418 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 124.71 17.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.426 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.16 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 111.308 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 104.46 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.181 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -113.13 120.98 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.487 179.4 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.0 m -129.75 68.35 80.49 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 36.5 Cg_endo -65.7 145.38 81.17 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.559 2.173 . . . . 0.0 112.176 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 10.8 m-85 -133.04 141.99 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.468 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.54 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.37 137.09 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 125.1 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.9 139.32 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 111.448 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.39 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.041 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.05 120.66 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.611 0.243 . . . . 0.0 110.474 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' K' K ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' C' ' 3' ' ' ILE . 48.9 m -129.62 68.24 80.2 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 37.2 Cg_endo -66.01 145.49 79.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.559 2.173 . . . . 0.0 112.172 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 10.1 m-85 -133.16 142.35 48.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.818 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.468 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.7 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.735 0.302 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.571 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.51 37.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.419 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.88 137.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 111.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.55 125.9 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.27 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 104.57 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.58 41.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.599 0.238 . . . . 0.0 110.43 179.269 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' L' L ' 8' ' ' SER . . . . . 0.495 ' HB2' HD13 ' D' ' 3' ' ' ILE . 49.8 m -129.66 68.27 80.28 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.7 Cg_endo -65.96 145.66 80.47 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.534 2.156 . . . . 0.0 112.312 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 10.7 m-85 -133.43 141.99 48.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.496 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.523 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.35 140.72 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.491 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -139.9 137.06 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.66 125.91 18.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.392 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.24 35.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.458 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 104.53 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.62 41.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.569 0.223 . . . . 0.0 110.436 179.256 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' M' M ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' E' ' 3' ' ' ILE . 48.9 m -129.62 68.26 80.22 Favored Pre-proline 0 CA--C 1.528 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.2 Cg_endo -65.8 145.37 80.59 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.151 . . . . 0.0 112.229 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 10.7 m-85 -133.76 141.14 47.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.584 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.75 37.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.53 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -140.24 137.12 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.405 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.62 125.63 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.35 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.8 139.26 36.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 111.498 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.59 104.34 6.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.74 120.64 41.51 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.457 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' N' N ' 8' ' ' SER . . . . . 0.468 ' HB2' HD13 ' F' ' 3' ' ' ILE . 44.2 m -129.78 68.08 80.16 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.6 Cg_endo -65.73 145.61 81.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.555 2.17 . . . . 0.0 112.289 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.0 m-85 -133.73 141.43 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.584 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.52 140.75 37.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.647 -179.404 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -140.32 136.99 37.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.319 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.74 124.73 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.378 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.29 139.05 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.442 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 106.54 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -115.96 120.43 39.14 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.528 179.364 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' O' O ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' G' ' 3' ' ' ILE . 38.4 m -128.83 67.87 78.24 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.5 Cg_endo -65.36 145.68 83.85 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.581 2.187 . . . . 0.0 112.204 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.0 m-85 -134.47 142.01 46.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.696 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.423 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.59 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.452 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt -138.97 137.58 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.28 125.09 18.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.454 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.32 139.16 35.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.616 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.625 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.95 108.08 9.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.726 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.03 120.72 40.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.546 179.465 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.485 ' HB2' HD13 ' H' ' 3' ' ' ILE . 49.8 m -130.01 70.51 82.14 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.8 Cg_endo -67.53 144.68 67.81 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.515 2.143 . . . . 0.0 112.335 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' H' ' 3' ' ' ILE . 12.3 m-85 -134.32 141.26 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.54 37.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.5 mt -138.53 137.35 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.26 126.48 21.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.306 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.42 139.57 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.67 6.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.697 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.83 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.55 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -129.02 70.85 81.86 Favored Pre-proline 0 N--CA 1.456 -0.138 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.3 Cg_endo -68.19 144.31 62.41 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.591 2.194 . . . . 0.0 112.127 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' N ' HG21 ' I' ' 2' ' ' THR . 19.7 m-85 -134.0 142.0 47.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.568 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.729 0.3 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.28 37.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.546 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mt -137.9 137.45 44.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.05 19.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.241 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.516 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 140.09 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 111.889 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 103.23 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.646 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.7 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.475 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -128.75 70.08 80.45 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.81 145.21 74.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.425 2.083 . . . . 0.0 112.146 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 17.4 m-85 -133.88 139.91 46.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.027 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.44 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt -137.72 137.3 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.75 126.22 20.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.79 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 111.944 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.2 120.93 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.118 -0.233 . . . . 0.0 110.469 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -129.33 69.91 81.47 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -66.98 145.2 73.11 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.539 ' H ' HG21 ' K' ' 2' ' ' THR . 17.6 m-85 -133.45 139.01 46.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.592 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.746 0.307 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.11 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.337 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 mt -137.68 137.33 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 125.98 19.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.271 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.32 139.68 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.602 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.11 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.728 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.07 120.85 42.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.562 0.22 . . . . 0.0 110.541 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.36 69.88 81.47 Favored Pre-proline 0 C--O 1.231 0.105 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.79 145.46 75.1 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.15 . . . . 0.0 112.116 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.609 ' H ' HG21 ' L' ' 2' ' ' THR . 16.4 m-85 -133.22 137.6 46.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.952 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.661 0.267 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.48 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.377 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' M' ' 10' ' ' TYR . 34.0 mt -138.04 137.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.68 126.18 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.546 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.55 33.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 111.927 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.602 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.16 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.677 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.93 42.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.559 0.219 . . . . 0.0 110.541 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -129.32 69.81 81.4 Favored Pre-proline 0 N--CA 1.456 -0.165 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.99 145.25 73.22 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 111.95 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.544 ' H ' HG21 ' M' ' 2' ' ' THR . 16.9 m-85 -132.89 138.89 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.521 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.39 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.372 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' N' ' 10' ' ' TYR . 35.8 mt -138.08 137.41 44.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 126.12 19.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.252 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.56 139.64 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.911 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.37 103.01 5.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.785 179.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 121.05 43.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.635 0.255 . . . . 0.0 110.436 179.194 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -129.79 69.42 81.58 Favored Pre-proline 0 N--CA 1.457 -0.113 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.965 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 38.5 Cg_endo -66.69 145.39 75.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.509 2.139 . . . . 0.0 111.903 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.505 ' H ' HG21 ' N' ' 2' ' ' THR . 16.0 m-85 -132.55 138.12 47.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.035 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.5 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.762 0.315 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.33 37.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.462 HD11 ' HE1' ' O' ' 10' ' ' TYR . 42.6 mt -137.78 137.31 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 126.02 19.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.544 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 139.57 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.834 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 102.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.7 179.428 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.85 42.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.678 0.275 . . . . 0.0 110.447 179.338 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -129.71 69.85 81.7 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.2 Cg_endo -67.55 145.23 69.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.377 2.051 . . . . 0.0 111.735 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.426 ' H ' HG21 ' O' ' 2' ' ' THR . 14.7 m-85 -131.85 138.54 48.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.7 0.286 . . . . 0.0 111.185 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 1' ' ' TYR . . . . . 0.442 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.714 0.293 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.46 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' P' ' 8' ' ' SER . 41.1 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.49 . . . . 0.0 111.349 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.16 18.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.02 139.06 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 111.693 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.64 103.17 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.579 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.97 120.82 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.481 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -129.67 69.07 81.33 Favored Pre-proline 0 C--O 1.231 0.119 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.726 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.3 Cg_endo -66.96 143.06 64.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.356 2.038 . . . . 0.0 111.667 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -128.94 138.72 52.15 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.879 0.371 . . . . 0.0 111.533 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.855 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.598 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.81 140.61 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.398 -179.802 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -137.45 136.99 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.246 0.546 . . . . 0.0 111.566 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 122.26 15.66 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.515 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.5 139.35 36.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.587 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 104.47 7.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.03 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.0 120.8 41.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.615 0.245 . . . . 0.0 110.5 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 36.4 m -129.3 69.98 81.48 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 41.6 Cg_endo -67.95 145.43 67.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.462 2.108 . . . . 0.0 112.053 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.7 m-85 -131.17 141.87 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.194 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.779 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.64 37.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.297 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -137.96 137.21 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.457 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.28 123.56 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.32 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.49 139.65 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 103.91 6.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.964 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.8 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.511 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -129.36 70.3 81.7 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.709 0.29 . . . . 0.0 110.796 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 44.6 Cg_endo -68.92 145.25 61.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 19.4 m-85 -131.44 142.13 49.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.788 0.327 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.539 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.85 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.53 137.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.426 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 123.71 16.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.256 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.67 139.6 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.392 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.53 103.67 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.58 120.91 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.464 179.463 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -129.7 69.83 81.68 Favored Pre-proline 0 CA--C 1.528 0.102 0 CA-C-O 120.704 0.288 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 45.5 Cg_endo -68.72 145.36 62.98 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.466 2.111 . . . . 0.0 112.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.592 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 19.7 m-85 -131.81 142.3 49.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.609 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.59 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.448 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.52 137.06 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.474 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 123.72 16.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.285 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.81 139.58 34.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.389 . . . . 0.0 111.456 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.58 104.1 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.898 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.01 120.88 43.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.51 179.577 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -129.6 69.68 81.54 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 43.2 Cg_endo -68.36 145.3 65.04 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.597 2.198 . . . . 0.0 112.23 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 18.4 m-85 -132.26 142.17 49.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.544 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.62 37.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -139.76 137.05 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.64 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.181 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.1 139.62 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.84 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.34 120.62 42.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.588 0.233 . . . . 0.0 110.453 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -129.71 69.77 81.66 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 43.4 Cg_endo -68.25 145.59 66.65 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 112.192 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.521 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -132.2 141.86 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.756 0.312 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.505 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.72 37.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.564 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.77 137.15 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.81 122.76 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.327 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.35 139.69 37.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.943 0.402 . . . . 0.0 111.472 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.641 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.82 104.17 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.901 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.01 120.56 41.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.582 179.488 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 44.8 m -129.5 69.33 81.29 Favored Pre-proline 0 CA--C 1.528 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 40.6 Cg_endo -67.61 145.85 71.49 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.672 2.248 . . . . 0.0 112.201 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.5 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 18.8 m-85 -133.04 141.98 48.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.749 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.652 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.62 140.74 37.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.608 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.99 137.05 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.55 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -140.55 123.7 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.135 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.7 139.58 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.601 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.651 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.94 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.691 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.51 41.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.649 0.262 . . . . 0.0 110.403 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 39.8 m -129.62 69.67 81.55 Favored Pre-proline 0 CA--C 1.528 0.117 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 39.8 Cg_endo -67.72 145.76 70.49 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.462 ' HE1' HD11 ' G' ' 3' ' ' ILE . 20.3 m-85 -133.25 142.1 48.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.652 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.87 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.434 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mt -139.48 137.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.339 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.05 123.74 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.152 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.54 35.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.605 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.651 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.37 107.56 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.99 120.66 40.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' P' P ' 8' ' ' SER . . . . . 0.417 ' HB2' HD13 ' H' ' 3' ' ' ILE . 42.6 m -129.94 71.59 82.14 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.58 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 49.5 Cg_endo -69.41 145.25 58.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.593 2.196 . . . . 0.0 112.173 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' H' ' 3' ' ' ILE . 21.7 m-85 -133.91 141.56 47.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 140.35 38.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.355 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -138.86 137.3 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.08 127.27 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.615 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.49 139.19 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.58 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.951 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.06 120.86 43.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.418 179.265 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 69.78 81.47 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.2 Cg_endo -68.04 141.69 53.87 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.517 2.144 . . . . 0.0 112.148 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' N ' HG21 ' I' ' 2' ' ' THR . 11.8 m-85 -130.56 142.81 50.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.695 0.283 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.25 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.843 0.354 . . . . 0.0 111.449 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.15 136.97 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.5 127.19 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.276 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.571 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.61 139.5 33.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 111.91 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 102.89 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.928 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.51 120.68 42.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.78 69.48 81.59 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.2 Cg_endo -66.8 145.05 73.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.341 2.028 . . . . 0.0 112.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.518 ' N ' HG21 ' J' ' 2' ' ' THR . 11.6 m-85 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 1' ' ' TYR . . . . . 0.536 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.708 0.29 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.25 137.13 44.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.0 126.94 20.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ALA . . . . . 0.561 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.45 139.41 33.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.367 . . . . 0.0 111.922 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 102.97 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.8 120.97 43.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.041 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 68.63 81.07 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' PRO . . . . . 0.564 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.9 144.89 78.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.441 2.094 . . . . 0.0 111.98 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' K' ' 2' ' ' THR . 11.3 m-85 -132.84 139.61 47.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 1' ' ' TYR . . . . . 0.536 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.31 37.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.344 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.405 HD11 ' CE1' ' L' ' 10' ' ' TYR . 24.6 mt -138.25 137.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 126.62 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.256 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.38 139.52 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 111.896 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.16 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.95 121.02 43.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.02 68.61 81.13 Favored Pre-proline 0 C--N 1.333 -0.125 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 9' ' ' PRO . . . . . 0.564 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -66.08 144.98 77.8 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.414 2.076 . . . . 0.0 111.95 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 11.2 m-85 -132.32 139.59 48.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 11' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.501 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.25 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.384 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' M' ' 10' ' ' TYR . 32.2 mt -138.18 137.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 126.92 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.45 139.4 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.872 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 6' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.2 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.891 179.633 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.27 120.85 42.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.015 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.19 68.81 81.54 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.61 145.06 74.85 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.374 2.049 . . . . 0.0 111.828 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.47 ' H ' HG21 ' M' ' 2' ' ' THR . 10.5 m-85 -132.11 139.21 48.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 11' ' ' SER . . . . . 0.432 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.707 0.289 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.2 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 3' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.4 mt -138.14 137.16 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.95 126.52 20.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.36 139.39 33.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 111.834 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.14 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.007 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.06 120.82 42.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 69.05 81.89 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 9' ' ' PRO . . . . . 0.532 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 41.6 Cg_endo -67.24 145.1 71.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.362 2.041 . . . . 0.0 111.681 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.416 ' H ' HG21 ' N' ' 2' ' ' THR . 10.4 m-85 -131.69 140.01 49.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.04 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 1' ' ' TYR . . . . . 0.466 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.71 0.29 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.08 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.363 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 3' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' O' ' 10' ' ' TYR . 28.6 mt -138.33 137.12 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.042 0.449 . . . . 0.0 111.25 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.13 126.69 20.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.304 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.4 139.24 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 103.42 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.891 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.91 42.56 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.365 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 67.9 80.35 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.045 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' F' ' 9' ' ' PRO . 39.1 Cg_endo -66.25 144.64 75.44 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.39 2.06 . . . . 0.0 111.591 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -130.93 139.99 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.883 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' P' ' 10' ' ' TYR . 30.9 mt -137.55 136.53 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.15 0.5 . . . . 0.0 111.371 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.88 125.64 19.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.514 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 5' ' ' ALA . . . . . 0.549 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.18 138.87 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.698 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.81 103.12 6.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.833 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 7' ' ' LEU . . . . . 0.657 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.357 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 68.11 80.81 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.783 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 9' ' ' PRO . . . . . 0.5 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 42.2 Cg_endo -66.65 142.72 65.33 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.34 2.027 . . . . 0.0 111.587 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -128.28 139.52 52.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.887 0.375 . . . . 0.0 111.569 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.877 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.729 0.3 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 2' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.32 140.68 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 -179.74 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -137.98 136.78 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 111.628 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.56 121.63 14.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.64 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.08 139.24 39.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 111.517 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 6' ' ' LEU . . . . . 0.615 ' HG ' ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -131.73 104.9 7.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.219 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.72 120.89 42.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.9 68.23 80.5 Favored Pre-proline 0 C--O 1.231 0.107 0 CA-C-O 120.672 0.272 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 9' ' ' PRO . . . . . 0.55 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.5 Cg_endo -66.63 145.08 74.79 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.415 2.077 . . . . 0.0 112.059 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 11.1 m-85 -130.55 143.39 50.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 11' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 1' ' ' TYR . . . . . 0.505 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.794 0.33 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 2' ' ' THR . . . . . 0.518 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.67 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.431 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -138.5 137.11 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 124.04 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.344 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.08 139.43 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 111.289 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 104.22 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.2 120.8 43.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.386 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.49 68.72 81.74 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.669 0.271 . . . . 0.0 110.999 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 9' ' ' PRO . . . . . 0.55 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 41.0 Cg_endo -67.76 145.29 68.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.546 2.164 . . . . 0.0 112.073 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 11.0 m-85 -130.89 144.37 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 11' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 1' ' ' TYR . . . . . 0.596 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.482 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.82 137.08 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.97 16.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.46 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 6' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.06 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' K' K ' 7' ' ' LEU . . . . . 0.712 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.87 120.79 43.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.474 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.24 68.77 81.55 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.695 0.283 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -67.84 145.38 68.43 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.472 2.115 . . . . 0.0 112.102 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 10' ' ' TYR . . . . . 0.52 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 11.1 m-85 -131.07 143.1 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.182 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 11' ' ' SER . . . . . 0.529 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 1' ' ' TYR . . . . . 0.596 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.64 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.05 137.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.375 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.78 123.98 16.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.98 139.43 36.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 104.21 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' L' L ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.08 120.96 43.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.361 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.3 67.65 80.23 Favored Pre-proline 0 CA--C 1.529 0.136 0 CA-C-O 120.624 0.249 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 9' ' ' PRO . . . . . 0.598 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.5 Cg_endo -66.55 145.59 76.88 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.566 2.177 . . . . 0.0 112.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 11.2 m-85 -132.05 143.53 50.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 1' ' ' TYR . . . . . 0.709 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 2' ' ' THR . . . . . 0.47 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.72 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.395 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.0 137.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.125 0.488 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -140.74 124.57 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.3 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.45 139.58 35.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.281 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' M' M ' 6' ' ' LEU . . . . . 0.626 ' O ' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 104.01 6.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' M' M ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.35 120.67 42.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.239 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.56 68.69 81.77 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 9' ' ' PRO . . . . . 0.598 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 38.2 Cg_endo -67.23 145.64 73.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.575 2.183 . . . . 0.0 112.14 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 11.2 m-85 -131.93 143.2 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' M' M ' 11' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 2' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.64 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.564 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.28 137.06 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.114 0.483 . . . . 0.0 111.575 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 4' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -140.84 124.36 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.427 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.09 139.44 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 111.377 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' N' N ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 104.67 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.65 41.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.296 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 67.72 79.9 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.1 Cg_endo -66.36 145.48 77.67 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.093 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 10' ' ' TYR . . . . . 0.489 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.4 m-85 -132.21 142.94 49.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' N' N ' 11' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' O' O ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.736 0.303 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 2' ' ' THR . . . . . 0.5 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.76 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.732 -179.434 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mt -141.2 136.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.087 0.47 . . . . 0.0 111.515 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 4' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.75 124.42 17.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.392 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.51 36.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.444 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' O' O ' 6' ' ' LEU . . . . . 0.607 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.0 104.69 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.068 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' O' O ' 7' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.29 120.63 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.601 0.239 . . . . 0.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.05 68.21 80.65 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' O' O ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 37.2 Cg_endo -66.6 145.62 76.74 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.594 2.196 . . . . 0.0 112.018 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' O' O ' 10' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.8 m-85 -132.77 142.74 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' O' O ' 11' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 1' ' ' TYR . . . . . 0.629 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.77 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.368 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.23 137.51 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.16 123.72 17.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.302 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.83 139.35 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.695 0.283 . . . . 0.0 111.52 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 6' ' ' LEU . . . . . 0.607 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 107.21 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 7' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.26 120.71 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.458 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.75 70.2 82.48 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 9' ' ' PRO . . . . . 0.575 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 46.9 Cg_endo -68.9 145.17 61.29 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.557 2.172 . . . . 0.0 112.14 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 10' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.0 m-85 -132.8 143.13 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 11' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.45 38.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.374 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' I' ' 8' ' ' SER . 36.5 mt -139.08 134.28 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.02 119.19 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.9 30.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.39 136.51 48.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.26 121.42 15.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -123.54 70.94 47.09 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.923 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.4 Cg_endo -66.53 141.64 61.79 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.62 2.213 . . . . 0.0 112.002 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' N ' HG21 ' I' ' 2' ' ' THR . 8.2 m-85 -133.72 140.97 47.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 23.0 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.49 37.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.515 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 32.6 mt -138.34 134.87 44.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.29 118.86 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.862 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.52 137.79 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.294 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.6 136.5 47.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.819 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.17 121.25 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.769 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -123.48 70.63 45.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.865 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.1 Cg_endo -64.43 145.41 87.88 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.353 2.035 . . . . 0.0 111.916 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.643 ' N ' HG21 ' J' ' 2' ' ' THR . 7.0 m-85 -136.73 138.41 40.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.545 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 18.0 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.48 37.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' K' ' 8' ' ' SER . 37.0 mt -138.39 134.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.579 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.35 118.91 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.003 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.46 138.14 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.693 0.282 . . . . 0.0 111.271 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.67 136.55 47.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.83 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.856 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.39 14.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.726 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 69.96 49.14 Favored Pre-proline 0 C--O 1.233 0.187 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.904 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.636 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.1 Cg_endo -64.79 144.43 83.53 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.566 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -134.81 140.01 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.618 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 17.3 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.724 0.297 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.491 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -138.17 134.63 44.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.38 118.87 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.864 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.41 137.61 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.701 0.286 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.39 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.725 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.856 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.34 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.758 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -124.3 70.19 52.83 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.929 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.636 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 33.2 Cg_endo -64.82 144.99 85.23 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.263 1.976 . . . . 0.0 111.956 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' L' ' 2' ' ' THR . 7.0 m-85 -134.99 138.48 44.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.618 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 13.2 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.25 37.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.6 mt -138.08 134.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.25 118.75 11.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.798 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.62 137.64 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.57 48.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.794 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.49 121.47 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m -124.08 69.62 49.38 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.618 0.246 . . . . 0.0 111.029 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 31.2 Cg_endo -64.22 145.1 88.33 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.351 2.034 . . . . 0.0 111.718 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' M' ' 2' ' ' THR . 6.6 m-85 -135.48 138.61 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 10.7 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.561 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.658 0.266 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 139.98 37.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' N' ' 8' ' ' SER . 40.1 mt -137.82 134.32 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.57 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.58 137.74 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.5 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.735 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.5 121.35 14.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.24 69.46 50.61 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 32.8 Cg_endo -64.34 144.95 87.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.356 2.038 . . . . 0.0 111.652 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.575 ' H ' HG21 ' N' ' 2' ' ' THR . 6.2 m-85 -134.74 138.01 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 13.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.517 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.2 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.528 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.1 mt -137.69 133.99 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.38 118.72 11.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.819 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.483 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.61 137.88 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.764 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.33 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.872 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.38 69.75 52.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-O 120.631 0.253 . . . . 0.0 111.046 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -65.26 143.24 76.5 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.342 2.028 . . . . 0.0 111.544 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.457 ' H ' HG21 ' O' ' 2' ' ' THR . 6.0 m-85 -132.67 139.41 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 14.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.517 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.2 38.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.339 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' P' ' 8' ' ' SER . 46.9 mt -137.37 133.25 46.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.15 118.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.518 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.68 138.11 30.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.13 47.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.03 121.42 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.56 69.5 54.05 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.0 Cg_endo -64.81 141.84 73.48 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.359 2.039 . . . . 0.0 111.601 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.08 136.02 48.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.913 0.387 . . . . 0.0 111.559 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 9.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.854 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.607 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.79 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.381 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.8 mt -139.89 134.01 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.115 0.483 . . . . 0.0 111.715 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.06 119.39 12.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.851 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.67 138.27 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.46 135.85 47.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.1 121.1 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.453 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' A' ' 3' ' ' ILE . 21.1 m -124.15 69.64 50.07 Favored Pre-proline 0 C--O 1.232 0.139 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.5 Cg_endo -64.76 144.72 84.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.316 2.011 . . . . 0.0 112.014 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.5 m-85 -132.66 142.14 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.289 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.753 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.758 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.722 0.296 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.643 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.36 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 111.425 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -139.13 134.65 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.269 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.33 119.54 12.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.582 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.91 138.32 31.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.647 0.261 . . . . 0.0 111.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.39 48.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.854 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 120.93 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.3 m -124.22 70.08 51.8 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.612 0.244 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.7 Cg_endo -65.69 144.72 79.16 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.366 2.044 . . . . 0.0 112.098 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.554 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.4 m-85 -133.26 142.28 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.753 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.4 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.586 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.768 0.318 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.566 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.447 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.09 135.15 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.59 119.36 11.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -141.97 137.81 31.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.26 136.33 48.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.879 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.04 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.667 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' C' ' 3' ' ' ILE . 18.6 m -124.59 69.57 54.45 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 33.9 Cg_endo -65.29 145.13 82.96 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.45 2.1 . . . . 0.0 112.051 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.3 m-85 -133.96 141.86 47.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.735 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 12.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.655 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.761 0.315 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.46 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.444 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -139.58 135.15 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.284 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.5 119.6 12.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.772 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -141.9 137.95 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.694 0.283 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.31 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.799 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.93 120.92 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' D' ' 3' ' ' ILE . 18.1 m -124.38 69.87 53.04 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.6 Cg_endo -65.29 145.15 82.99 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.485 2.123 . . . . 0.0 112.174 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.4 m-85 -134.33 141.64 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.735 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.663 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.25 140.51 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.536 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.01 135.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.309 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.5 119.44 11.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.691 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.03 137.82 31.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.678 0.275 . . . . 0.0 111.258 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.688 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.41 136.55 48.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.971 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.81 120.91 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.724 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.567 ' HB2' HD13 ' E' ' 3' ' ' ILE . 19.4 m -124.45 69.56 53.04 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.854 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.3 Cg_endo -65.06 145.15 84.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.459 2.106 . . . . 0.0 112.052 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.561 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.8 m-85 -134.37 141.24 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 16.4 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.663 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.575 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.73 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.431 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -140.58 135.43 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.088 0.47 . . . . 0.0 111.376 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.5 119.46 11.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.08 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.59 0.233 . . . . 0.0 111.332 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.24 47.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.95 13.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.687 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' F' ' 3' ' ' ILE . 19.0 m -124.34 69.31 51.36 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.655 0.264 . . . . 0.0 110.797 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.554 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 32.2 Cg_endo -64.7 145.68 87.18 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.46 2.107 . . . . 0.0 112.035 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.8 m-85 -134.97 141.2 46.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 17.6 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.594 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.724 0.297 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.25 140.7 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.658 -179.373 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mt -141.11 135.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.527 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.62 119.46 11.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.763 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.22 137.55 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 0.0 111.263 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.31 47.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.91 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.685 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' G' ' 3' ' ' ILE . 16.2 m -124.45 69.53 52.95 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.646 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.0 Cg_endo -64.84 145.45 86.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.512 2.141 . . . . 0.0 112.17 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.5 m-85 -135.57 141.54 45.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 19.4 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.588 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.55 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.433 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 mt -139.84 136.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.225 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.31 119.6 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 137.37 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.583 0.23 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.04 136.37 48.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.702 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.18 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.57 ' HB2' HD13 ' H' ' 3' ' ' ILE . 17.2 m -125.14 71.17 62.82 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.646 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.5 Cg_endo -66.28 144.6 75.11 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.488 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.0 m-85 -135.27 140.57 45.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 20.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.2 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' I' ' 8' ' ' SER . 39.3 mt -139.3 133.57 39.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.94 119.35 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.799 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.69 31.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.84 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.43 121.45 15.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -123.64 70.41 46.74 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.901 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.612 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -65.99 142.08 66.98 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.544 2.163 . . . . 0.0 112.181 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' N ' HG21 ' I' ' 2' ' ' THR . 7.1 m-85 -134.67 141.06 46.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.566 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.3 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' J' ' 8' ' ' SER . 38.0 mt -138.48 134.48 43.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.28 118.9 11.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.09 30.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.265 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.45 136.51 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.859 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.28 121.13 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.41 70.18 43.93 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.626 0.251 . . . . 0.0 110.936 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 30.7 Cg_endo -64.28 145.18 88.19 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.339 2.026 . . . . 0.0 112.135 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.628 ' N ' HG21 ' J' ' 2' ' ' THR . 6.8 m-85 -136.66 140.14 42.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.6 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.701 0.286 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.34 37.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.459 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' K' ' 8' ' ' SER . 41.0 mt -138.43 134.16 43.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.036 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.581 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.93 11.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.747 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.401 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.48 137.03 30.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 0.0 111.258 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.24 136.33 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.76 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.859 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.4 14.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.58 69.73 44.53 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-O 120.666 0.27 . . . . 0.0 111.069 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.634 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 30.5 Cg_endo -63.87 144.88 89.58 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.325 2.017 . . . . 0.0 111.895 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.575 ' N ' HG21 ' K' ' 2' ' ' THR . 6.4 m-85 -136.3 139.57 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.848 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.502 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.585 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.809 0.337 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.38 140.23 37.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.401 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' L' ' 8' ' ' SER . 45.2 mt -138.35 134.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.34 118.73 11.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.736 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.47 137.14 30.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.676 0.275 . . . . 0.0 111.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.3 136.39 48.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.789 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.41 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -123.7 69.6 45.42 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 32.2 Cg_endo -64.46 144.65 85.94 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.336 2.024 . . . . 0.0 111.843 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 6.1 m-85 -135.17 139.79 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.991 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.585 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.647 0.26 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.27 37.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.9 mt -138.19 134.35 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.47 118.96 11.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.864 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.44 137.12 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.693 0.282 . . . . 0.0 111.337 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.48 47.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.789 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.55 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 43.1 m -123.87 69.35 46.55 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.969 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 32.0 Cg_endo -64.03 144.59 87.99 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.331 2.021 . . . . 0.0 111.748 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' M' ' 2' ' ' THR . 6.0 m-85 -135.34 138.09 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.527 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.579 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.675 0.274 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.15 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' N' ' 8' ' ' SER . 42.6 mt -138.06 133.83 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.45 118.66 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 137.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.272 . . . . 0.0 111.297 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.63 48.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.825 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.772 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.39 14.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.874 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -124.12 69.26 48.93 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 30.2 Cg_endo -63.7 144.98 90.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.823 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.62 ' H ' HG21 ' N' ' 2' ' ' THR . 6.0 m-85 -135.56 137.89 42.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.184 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.816 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.725 0.298 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.14 37.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' O' ' 8' ' ' SER . 48.2 mt -138.05 133.78 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -141.38 118.76 11.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.86 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.69 137.3 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.662 0.267 . . . . 0.0 111.375 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.58 48.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.709 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.53 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -124.25 68.81 49.18 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 31.6 Cg_endo -63.71 144.7 89.92 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.372 2.048 . . . . 0.0 111.548 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' O' ' 2' ' ' THR . 5.6 m-85 -134.74 139.3 45.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.031 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.625 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.977 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.697 0.284 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 139.89 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.399 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' P' ' 8' ' ' SER . 51.3 mt -137.42 133.02 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.313 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.94 118.52 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.51 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.69 137.66 30.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.462 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.27 47.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.867 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.703 HD21 HD23 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.91 121.52 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.721 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.46 68.09 49.48 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.979 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 31.5 Cg_endo -63.42 142.55 85.62 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.339 2.026 . . . . 0.0 111.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.402 ' H ' HG21 ' P' ' 2' ' ' THR . 5.3 m-85 -132.1 137.22 47.65 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.542 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.61 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -139.77 134.11 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.097 0.475 . . . . 0.0 111.546 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.32 119.5 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.819 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.65 137.8 32.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.562 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.55 136.26 47.69 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.028 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.31 120.93 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.433 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 3' ' ' ILE . 50.3 m -123.69 68.71 43.07 Favored Pre-proline 0 C--O 1.232 0.162 0 CA-C-O 120.561 0.22 . . . . 0.0 110.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 30.4 Cg_endo -63.72 145.03 90.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.372 2.048 . . . . 0.0 112.053 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.566 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 6.3 m-85 -133.41 141.86 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.642 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.519 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.628 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.68 37.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -139.31 134.71 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.329 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.85 12.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.659 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.7 137.76 31.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.197 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.633 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.33 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.804 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.716 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.08 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.529 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.3 m -124.3 69.18 50.61 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-O 120.657 0.265 . . . . 0.0 110.925 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 31.9 Cg_endo -64.77 145.21 85.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.507 2.138 . . . . 0.0 112.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.56 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.4 m-85 -134.57 141.71 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.657 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.727 0.299 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.575 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.55 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.327 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.61 135.16 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.371 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.78 119.59 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.657 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.76 137.51 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.661 0.267 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.42 48.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.716 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.98 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.524 ' HB2' HD13 ' C' ' 3' ' ' ILE . 50.5 m -124.49 68.78 51.61 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 120.614 0.245 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 31.4 Cg_endo -64.48 145.41 87.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.431 2.087 . . . . 0.0 112.178 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.564 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 6.9 m-85 -134.45 141.74 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 6.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.683 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.685 0.278 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.7 140.48 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.365 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -139.76 135.46 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.64 119.68 12.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.01 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.671 0.272 . . . . 0.0 111.183 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.25 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.887 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.89 121.02 13.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.507 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.9 m -124.17 68.7 48.11 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.93 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.19 145.21 88.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.45 2.1 . . . . 0.0 112.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.0 m-85 -134.58 141.77 46.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.602 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 7.1 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.705 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.71 0.29 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.59 140.32 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.481 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 mt -139.74 135.28 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.65 119.6 11.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.723 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.08 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.601 0.238 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.707 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.38 47.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.899 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.68 13.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.512 ' HB2' HD13 ' E' ' 3' ' ' ILE . 50.7 m -123.95 68.69 45.78 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.71 0.291 . . . . 0.0 110.879 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.631 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 30.6 Cg_endo -64.16 145.33 88.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.601 2.201 . . . . 0.0 112.193 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.0 m-85 -135.21 141.14 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.799 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.705 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.62 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.51 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.43 135.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.54 119.67 12.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.652 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.614 0.245 . . . . 0.0 111.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.727 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.43 47.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.81 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.728 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.508 ' HB2' HD13 ' F' ' 3' ' ' ILE . 50.0 m -124.2 68.77 48.63 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.16 145.75 89.57 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.557 2.171 . . . . 0.0 112.118 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.1 m-85 -135.83 140.72 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.5 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.3 135.29 31.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.105 0.479 . . . . 0.0 111.439 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.61 119.64 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.712 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.9 137.18 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.715 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.27 47.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.877 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.88 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.518 ' HB2' HD13 ' G' ' 3' ' ' ILE . 49.6 m -124.49 68.7 51.46 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.677 0.275 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.653 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.2 Cg_endo -64.39 145.4 88.03 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.46 2.107 . . . . 0.0 112.223 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' G' ' 3' ' ' ILE . 7.4 m-85 -135.5 141.38 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.547 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . 0.402 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.76 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.529 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -140.7 135.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.35 119.73 12.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.48 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.569 0.224 . . . . 0.0 111.317 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.703 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.52 48.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.16 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.527 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.0 m -124.93 70.44 59.72 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.653 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.3 Cg_endo -65.69 145.04 80.31 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.598 2.199 . . . . 0.0 112.375 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' H' ' 3' ' ' ILE . 8.2 m-85 -136.17 141.14 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.685 0.279 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.24 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.2 mt -138.58 133.36 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.92 118.98 11.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.24 31.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.15 136.58 48.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.812 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.69 121.33 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -123.81 70.42 48.48 Favored Pre-proline 0 C--O 1.232 0.154 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.606 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.8 Cg_endo -66.58 142.0 62.96 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.172 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.669 ' N ' HG21 ' I' ' 2' ' ' THR . 9.7 m-85 -134.68 140.58 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.596 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.739 0.304 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 39.4 mt -138.06 133.92 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.366 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.3 118.98 11.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.837 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.44 138.15 30.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.411 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.21 136.65 48.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.717 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.833 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.99 121.16 14.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -123.76 70.27 47.68 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.606 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.8 Cg_endo -65.24 144.74 82.06 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.216 1.944 . . . . 0.0 112.106 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.653 ' N ' HG21 ' J' ' 2' ' ' THR . 9.1 m-85 -136.56 139.43 42.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.802 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.583 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.685 0.279 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.13 37.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.318 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' K' ' 8' ' ' SER . 40.8 mt -137.79 133.63 45.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.83 11.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.714 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.39 138.35 31.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.651 0.262 . . . . 0.0 111.332 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 136.64 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.852 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.19 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.735 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -123.9 69.67 47.69 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.7 Cg_endo -64.98 144.86 84.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.387 2.058 . . . . 0.0 112.071 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.578 ' N ' HG21 ' K' ' 2' ' ' THR . 8.7 m-85 -135.86 139.35 43.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.32 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.256 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.8 mt -138.14 133.9 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.992 0.425 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.39 118.84 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.46 138.14 30.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.348 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.63 48.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.763 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.43 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -123.95 69.35 47.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.968 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 35.4 Cg_endo -65.17 143.82 79.16 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.366 2.044 . . . . 0.0 111.912 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' L' ' 2' ' ' THR . 8.5 m-85 -134.59 138.91 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.32 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.349 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.9 mt -137.96 133.68 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.3 118.78 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.757 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.51 138.18 30.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.349 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.57 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.813 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.26 121.4 14.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.4 69.66 52.77 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.944 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 32.8 Cg_endo -64.74 144.72 84.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.464 2.109 . . . . 0.0 111.871 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.6 ' H ' HG21 ' M' ' 2' ' ' THR . 8.1 m-85 -135.5 138.36 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.15 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.828 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.548 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.691 0.281 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.434 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' N' ' 8' ' ' SER . 43.1 mt -138.0 133.4 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.79 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.63 138.52 30.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.641 0.258 . . . . 0.0 111.422 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.73 48.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.802 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.38 14.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.3 68.76 49.56 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.971 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.72 144.21 83.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.385 2.057 . . . . 0.0 111.663 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.543 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -134.31 138.46 44.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.124 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.548 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.3 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.2 mt -137.86 133.35 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.34 118.66 11.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.76 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.62 138.4 30.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.359 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 136.62 47.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.834 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.756 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.26 121.44 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -124.46 68.89 51.62 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.931 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.2 Cg_endo -64.74 144.36 83.54 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.36 2.04 . . . . 0.0 111.494 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.528 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.04 139.16 45.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.151 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.936 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.749 0.309 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.25 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.368 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.1 mt -137.03 133.04 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.0 118.27 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.864 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.523 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.71 138.58 30.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 0.0 111.446 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.6 136.27 47.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.45 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.749 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 68.38 52.92 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.994 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 32.8 Cg_endo -63.76 143.42 86.35 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.311 2.007 . . . . 0.0 111.675 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.461 ' H ' HG21 ' P' ' 2' ' ' THR . 6.7 m-85 -133.0 136.16 45.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.823 0.344 . . . . 0.0 111.574 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.97 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.704 0.288 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.669 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.73 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.379 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -138.74 133.66 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.144 0.497 . . . . 0.0 111.637 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.11 119.3 12.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.744 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.84 138.96 32.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.358 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.484 HD23 HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.67 136.32 47.59 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.94 121.15 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 3' ' ' ILE . 15.8 m -124.06 68.26 45.8 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.994 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.3 Cg_endo -63.91 145.18 89.93 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.357 2.038 . . . . 0.0 112.23 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.596 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.69 142.01 47.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.797 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.754 0.311 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.653 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.01 140.55 38.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.341 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -138.4 134.34 43.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.366 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.38 119.61 12.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.707 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.82 138.26 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.281 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.31 136.43 48.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.801 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.1 m -124.65 69.31 54.48 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.718 0.294 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.7 Cg_endo -65.18 145.26 83.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.517 2.144 . . . . 0.0 112.01 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.583 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.36 142.1 47.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.446 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.578 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.33 140.61 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.332 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 mt -138.87 134.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.403 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.56 119.47 11.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.671 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.99 138.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.693 0.282 . . . . 0.0 111.246 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.621 HD23 HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.12 136.22 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.792 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.98 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' C' ' 3' ' ' ILE . 16.2 m -124.64 69.48 54.77 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.849 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.7 Cg_endo -65.55 145.15 81.44 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.064 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.549 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.2 m-85 -134.34 142.08 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.678 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.679 0.276 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.36 140.57 37.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.268 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.97 135.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.989 0.423 . . . . 0.0 111.436 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.69 119.36 11.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.681 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.14 31.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.643 0.259 . . . . 0.0 111.245 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.645 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.32 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.717 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' D' ' 3' ' ' ILE . 16.5 m -124.64 68.9 53.5 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.672 0.273 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.3 Cg_endo -65.11 145.21 84.21 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.424 2.083 . . . . 0.0 112.074 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.6 m-85 -134.59 141.88 46.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.681 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.718 0.294 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.6 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.46 37.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.353 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.23 135.15 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.474 . . . . 0.0 111.41 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.58 119.35 11.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 137.88 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.627 0.251 . . . . 0.0 111.316 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.659 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.37 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 120.89 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.552 ' HB2' HD13 ' E' ' 3' ' ' ILE . 16.4 m -124.68 69.11 54.41 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.689 0.28 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.6 Cg_endo -65.31 145.43 83.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.518 2.146 . . . . 0.0 112.095 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.9 m-85 -135.08 141.84 46.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.681 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.543 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.57 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.396 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -139.88 135.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.547 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.66 119.49 11.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.635 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.03 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 111.276 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.5 136.3 47.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' F' ' 3' ' ' ILE . 16.0 m -124.38 68.97 50.95 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 31.7 Cg_endo -64.65 145.51 87.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.529 2.152 . . . . 0.0 112.085 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.501 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 9.1 m-85 -135.97 141.27 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.684 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.528 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.62 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.495 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 mt -140.48 134.84 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.079 0.466 . . . . 0.0 111.568 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.38 119.39 11.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.643 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.75 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 111.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.756 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.43 136.47 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 120.83 13.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.559 ' HB2' HD13 ' G' ' 3' ' ' ILE . 15.7 m -124.31 68.81 49.87 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.6 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 32.5 Cg_endo -64.84 145.45 86.11 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.53 2.153 . . . . 0.0 112.204 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' G' ' 3' ' ' ILE . 9.4 m-85 -135.85 141.98 44.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.684 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.81 0.338 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . 0.461 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -138.86 140.55 38.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.343 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -139.95 134.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.43 119.74 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.683 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.28 32.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.627 0.251 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.723 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.52 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.62 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.712 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.18 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.772 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' H' ' 3' ' ' ILE . 16.0 m -124.89 70.59 59.64 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.6 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.1 Cg_endo -66.41 144.98 75.76 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.564 2.176 . . . . 0.0 112.208 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' H' ' 3' ' ' ILE . 10.6 m-85 -136.27 141.66 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.87 0.367 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.7 mt -138.54 133.97 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.591 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.2 118.96 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.38 136.04 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -130.08 136.23 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.792 0.33 . . . . 0.0 110.516 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.791 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.35 121.41 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -122.54 71.22 37.32 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -66.15 142.48 67.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.507 2.138 . . . . 0.0 112.036 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.637 ' N ' HG21 ' I' ' 2' ' ' THR . 8.7 m-85 -135.25 141.14 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.544 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.731 0.301 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.37 37.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.297 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.499 HD13 ' HB2' ' J' ' 8' ' ' SER . 35.9 mt -137.42 134.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.27 118.79 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.877 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.51 136.29 29.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.695 0.283 . . . . 0.0 111.308 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.04 136.17 48.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.844 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.36 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.873 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -122.24 70.22 31.95 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 28.7 Cg_endo -63.71 145.31 90.97 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.194 1.929 . . . . 0.0 111.949 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.642 ' N ' HG21 ' J' ' 2' ' ' THR . 7.6 m-85 -137.45 139.5 40.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.029 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.586 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.704 0.288 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.35 37.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' K' ' 8' ' ' SER . 39.2 mt -137.19 134.47 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.609 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.714 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.68 136.02 28.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.12 136.12 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.723 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.844 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.57 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -122.56 70.3 35.44 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 29.3 Cg_endo -63.91 145.26 90.01 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.315 2.01 . . . . 0.0 111.949 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.6 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -136.77 139.43 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.835 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.591 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.06 37.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -137.15 134.26 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.609 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.35 118.72 11.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.67 136.41 29.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.307 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.6 OUTLIER -131.28 136.38 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.641 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.52 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -122.69 70.09 36.32 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 110.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.573 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 31.0 Cg_endo -64.16 145.22 88.8 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.367 2.045 . . . . 0.0 111.85 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.59 ' H ' HG21 ' L' ' 2' ' ' THR . 7.4 m-85 -136.36 138.87 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.591 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.767 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 140.11 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.195 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.0 mt -136.88 134.29 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.426 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.78 136.58 28.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.558 0.218 . . . . 0.0 111.339 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.46 136.21 47.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.652 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.59 14.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.06 69.83 39.46 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.686 0.279 . . . . 0.0 111.01 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.609 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 30.3 Cg_endo -63.93 144.83 89.13 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.378 2.052 . . . . 0.0 111.879 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.593 ' H ' HG21 ' M' ' 2' ' ' THR . 7.2 m-85 -135.72 138.0 42.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.106 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.813 0.34 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.36 37.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' N' ' 8' ' ' SER . 44.1 mt -137.29 133.92 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.36 118.43 11.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.746 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.75 136.26 28.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.374 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.6 OUTLIER -131.17 136.11 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.673 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 121.53 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -123.02 69.34 37.79 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.609 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 29.8 Cg_endo -63.66 144.74 90.29 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.413 2.075 . . . . 0.0 111.761 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' N' ' 2' ' ' THR . 6.6 m-85 -135.31 137.44 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.059 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.551 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.736 0.303 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.15 37.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' O' ' 10' ' ' TYR . 47.5 mt -136.91 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.42 118.45 11.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.758 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.459 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.78 136.21 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 0.6 OUTLIER -131.3 136.28 48.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.723 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.46 14.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.85 69.48 36.45 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.985 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' H' ' 9' ' ' PRO . 31.1 Cg_endo -64.07 143.96 85.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.401 2.067 . . . . 0.0 111.671 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.537 ' H ' HG21 ' O' ' 2' ' ' THR . 6.5 m-85 -134.12 137.96 44.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.065 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.551 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.732 0.301 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.28 37.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' P' ' 10' ' ' TYR . 49.7 mt -136.58 133.57 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.049 0.452 . . . . 0.0 111.269 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.17 118.15 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.805 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.86 136.1 28.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.488 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.31 135.9 47.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.795 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.14 121.48 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -123.41 69.2 41.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.859 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.0 Cg_endo -63.71 143.09 85.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.413 2.075 . . . . 0.0 111.541 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.502 ' H ' HG21 ' P' ' 2' ' ' THR . 6.1 m-85 -132.98 134.62 44.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.578 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.637 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.68 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.93 133.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.183 0.516 . . . . 0.0 111.63 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.14 119.2 11.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.616 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 137.41 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.324 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.49 135.92 47.48 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.005 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.06 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' A' ' 3' ' ' ILE . 68.7 m -122.96 68.82 35.87 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.68 0.276 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.666 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.0 Cg_endo -64.11 144.7 87.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.421 2.081 . . . . 0.0 112.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.544 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.22 142.39 48.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.765 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.642 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.14 140.49 37.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -138.38 134.18 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.429 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.22 11.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.546 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -141.94 137.0 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.664 0.268 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.596 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.46 48.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.865 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.78 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.97 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.656 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.499 ' HB2' HD13 ' B' ' 3' ' ' ILE . 67.6 m -122.69 69.92 35.86 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.635 0.255 . . . . 0.0 110.835 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.666 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.0 Cg_endo -64.9 145.11 85.15 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.476 2.117 . . . . 0.0 112.14 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.586 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.91 141.4 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.438 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.856 0.36 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.6 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.5 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mt -138.37 135.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.446 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.53 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.95 136.12 30.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.667 0.27 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.587 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -130.98 136.18 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.06 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' C' ' 3' ' ' ILE . 68.3 m -123.07 69.65 39.14 Favored Pre-proline 0 CA--C 1.528 0.097 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 31.7 Cg_endo -64.95 145.34 85.39 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.495 2.13 . . . . 0.0 112.108 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.539 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.8 m-85 -135.07 141.7 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.574 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.713 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.59 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.42 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.52 135.17 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.43 119.31 11.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.606 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 135.81 29.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.571 0.224 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.02 136.08 48.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.783 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.71 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 121.12 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.844 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' D' ' 3' ' ' ILE . 67.3 m -123.09 69.36 38.52 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.624 0.25 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.2 Cg_endo -64.23 145.34 88.65 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.578 2.185 . . . . 0.0 112.256 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.535 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.9 m-85 -135.45 140.82 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 5.2 t . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.713 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.593 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.43 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.85 135.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.338 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.47 119.48 11.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.552 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 136.23 29.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.22 136.05 47.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.79 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 121.03 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.698 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' E' ' 3' ' ' ILE . 69.1 m -123.08 69.55 38.92 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 32.4 Cg_endo -64.76 145.31 86.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.189 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.9 m-85 -135.34 140.71 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.6 t . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.644 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.51 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.341 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -139.54 135.69 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.098 0.475 . . . . 0.0 111.451 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.75 119.29 11.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.711 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 135.94 29.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.655 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.1 135.7 47.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.72 120.93 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.669 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' F' ' 3' ' ' ILE . 67.8 m -123.17 69.32 39.3 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.663 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 29.6 Cg_endo -64.3 145.38 88.41 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.486 2.124 . . . . 0.0 112.201 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.4 m-85 -135.74 141.07 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.644 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.537 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.61 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.527 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.91 135.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.084 0.469 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.6 119.07 11.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.591 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 135.61 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 111.298 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.69 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.28 136.05 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 120.83 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.469 ' HB2' HD13 ' G' ' 3' ' ' ILE . 68.2 m -122.94 69.64 37.72 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 120.712 0.291 . . . . 0.0 110.732 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 31.0 Cg_endo -64.43 145.55 88.09 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.534 2.156 . . . . 0.0 112.204 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.4 m-85 -136.1 141.11 44.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.753 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.967 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . 0.502 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.66 37.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.301 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.57 135.78 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.35 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.41 119.33 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.19 134.33 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.387 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.646 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -129.71 136.21 49.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.667 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.658 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.25 14.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.466 ' HB2' HD13 ' H' ' 3' ' ' ILE . 69.4 m -123.54 71.46 48.14 Favored Pre-proline 0 N--CA 1.456 -0.173 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.8 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.637 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.9 Cg_endo -66.43 145.05 75.88 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.549 2.166 . . . . 0.0 112.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.6 m-85 -136.74 140.98 43.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.11 37.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.231 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -138.83 134.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.03 119.07 11.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 135.6 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -129.25 136.38 50.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.18 121.46 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.8 70.52 38.48 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.999 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -65.92 142.83 70.55 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.533 2.155 . . . . 0.0 111.972 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' I' ' 2' ' ' THR . 8.8 m-85 -135.18 141.25 45.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.594 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 35.6 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.765 0.317 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' J' ' 10' ' ' TYR . 38.5 mt -138.02 135.32 45.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.32 118.86 11.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.805 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.54 137.15 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.33 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -131.27 136.42 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.834 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.2 121.16 14.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.4 70.56 34.35 Favored Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.86 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.627 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.5 Cg_endo -64.51 145.24 87.21 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.244 1.962 . . . . 0.0 111.812 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.603 ' N ' HG21 ' J' ' 2' ' ' THR . 7.8 m-85 -136.67 138.49 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.843 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 32.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.565 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.732 0.301 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.1 37.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.29 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' K' ' 10' ' ' TYR . 44.4 mt -137.78 134.95 45.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.33 118.68 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.72 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.53 137.01 29.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.652 0.263 . . . . 0.0 111.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -131.32 136.48 48.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.691 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.839 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.16 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.56 70.21 35.23 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.627 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 33.3 Cg_endo -64.92 145.11 85.02 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.294 1.996 . . . . 0.0 111.949 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 8.0 m-85 -136.05 138.36 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 33.8 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.546 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.24 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.299 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' L' ' 10' ' ' TYR . 44.8 mt -137.95 134.73 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.984 0.421 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.09 118.45 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.66 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.6 136.8 29.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.766 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.47 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.21 70.06 41.54 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 32.4 Cg_endo -64.75 144.31 83.32 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.347 2.031 . . . . 0.0 111.875 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 7.5 m-85 -134.62 138.06 44.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.937 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.696 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 32.2 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.539 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.741 0.305 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.17 37.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' M' ' 10' ' ' TYR . 48.6 mt -137.83 134.76 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.575 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.26 118.72 11.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.83 136.47 28.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.659 0.266 . . . . 0.0 111.391 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' F' ' 6' ' ' LEU . 0.5 OUTLIER -131.09 136.48 48.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.803 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.816 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.4 14.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.98 69.78 38.53 Favored Pre-proline 0 CA--C 1.529 0.146 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.016 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.596 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.3 Cg_endo -64.79 144.79 84.71 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.381 2.054 . . . . 0.0 111.806 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.585 ' H ' HG21 ' M' ' 2' ' ' THR . 7.8 m-85 -135.35 136.88 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.696 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 31.9 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.543 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.22 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.252 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.7 mt -137.69 134.89 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.46 118.56 11.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.762 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.83 136.78 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.371 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' E' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.85 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.37 121.41 14.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.771 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.71 69.43 34.91 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.974 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 34.7 Cg_endo -64.55 144.94 86.37 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.291 1.994 . . . . 0.0 111.7 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -135.42 136.86 41.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.637 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 27.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.899 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.744 0.307 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.18 37.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.537 HD11 ' CE1' ' O' ' 10' ' ' TYR . 46.2 mt -137.49 134.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.24 118.31 11.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.73 136.98 29.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' H' ' 6' ' ' LEU . 0.5 OUTLIER -131.35 136.42 48.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.44 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.739 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.22 69.73 40.8 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.4 Cg_endo -65.18 144.82 82.7 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.306 2.004 . . . . 0.0 111.678 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.511 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.49 137.64 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.159 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.637 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 22.9 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.488 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.848 0.356 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.2 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' P' ' 10' ' ' TYR . 51.8 mt -136.85 133.98 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 111.216 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.08 118.14 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.838 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.491 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.96 137.18 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.524 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.426 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.63 136.06 47.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.42 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.64 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 68.96 41.79 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 34.8 Cg_endo -64.27 142.31 79.09 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.401 2.067 . . . . 0.0 111.569 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -131.6 135.71 47.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.785 0.326 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 22.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.841 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.13 140.67 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.43 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -139.13 134.62 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.93 119.02 11.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.729 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.85 137.52 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.221 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.51 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.55 136.2 47.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.954 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.06 13.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.93 69.43 37.09 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-O 120.642 0.258 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.9 Cg_endo -65.1 144.67 82.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.407 2.071 . . . . 0.0 112.147 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.9 m-85 -133.28 141.54 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 23.2 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.838 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.512 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.771 0.32 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.603 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.38 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -139.06 135.25 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.54 119.09 11.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.585 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.86 137.56 31.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.646 0.26 . . . . 0.0 111.202 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.595 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.41 136.71 48.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.04 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.14 69.67 39.86 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.596 0.236 . . . . 0.0 110.953 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.2 Cg_endo -65.46 145.12 81.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.435 2.09 . . . . 0.0 112.042 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.565 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 8.0 m-85 -134.11 141.73 47.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 24.3 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.796 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.512 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.44 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.207 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 mt -139.0 135.83 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.5 12.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.674 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.04 137.15 30.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.634 0.254 . . . . 0.0 111.156 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.39 136.36 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.812 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 121.03 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.18 69.42 39.62 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-O 120.664 0.269 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 33.6 Cg_endo -64.9 145.12 85.13 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.522 2.148 . . . . 0.0 112.035 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.546 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.0 m-85 -134.63 140.9 46.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.013 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.76 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 22.7 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.789 0.328 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.55 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 48.1 mt -139.3 135.79 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 111.363 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.44 119.25 11.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.582 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.7 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.627 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.26 136.1 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.804 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.6 120.92 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.44 69.76 43.12 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-O 120.701 0.286 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.0 Cg_endo -65.64 145.21 81.05 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.434 2.089 . . . . 0.0 112.092 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.486 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.1 m-85 -134.13 141.53 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.724 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 29.7 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.626 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.585 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.72 140.54 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.341 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mt -139.89 135.68 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.055 0.455 . . . . 0.0 111.303 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.55 119.41 11.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.691 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.03 137.34 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.583 0.23 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.638 HD23 HD21 ' E' ' 7' ' ' LEU . 0.4 OUTLIER -131.52 136.14 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.865 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.98 13.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.664 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.7 69.28 44.59 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.934 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.0 Cg_endo -64.94 145.38 85.52 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.549 2.166 . . . . 0.0 112.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 8.1 m-85 -134.84 140.15 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.724 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 30.3 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.795 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.631 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.695 0.283 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.31 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mt -139.9 135.57 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.053 0.454 . . . . 0.0 111.508 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.55 119.32 11.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.706 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.82 137.37 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 0.0 111.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.683 HD23 HD21 ' F' ' 7' ' ' LEU . 0.4 OUTLIER -131.58 136.26 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.87 120.79 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.427 ' HB2' HD13 ' F' ' 3' ' ' ILE . 0.2 OUTLIER -123.13 68.82 37.62 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.857 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.0 Cg_endo -64.83 145.45 86.14 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.52 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.1 m-85 -135.38 140.58 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.715 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 33.6 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.631 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.511 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.72 37.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.573 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.1 135.31 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.579 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.742 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.0 30.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.7 0.285 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' G' ' 7' ' ' LEU . 0.4 OUTLIER -131.25 136.25 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 120.69 13.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.413 ' HB2' HD13 ' G' ' 3' ' ' ILE . 0.2 OUTLIER -123.06 69.07 37.51 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-O 120.672 0.272 . . . . 0.0 110.743 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.87 145.31 85.67 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.45 2.1 . . . . 0.0 112.207 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.537 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.8 m-85 -135.16 140.99 45.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 34.1 t . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.79 37.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.26 136.3 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.283 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.33 119.4 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.13 135.85 29.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.627 0.251 . . . . 0.0 111.287 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.676 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -129.7 136.29 49.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.88 121.14 14.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.401 ' HB2' HD13 ' H' ' 3' ' ' ILE . 0.2 OUTLIER -124.19 71.55 54.66 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-O 120.839 0.352 . . . . 0.0 110.683 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.641 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.3 Cg_endo -67.31 144.39 67.96 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.439 2.092 . . . . 0.0 112.274 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.515 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.1 m-85 -134.95 140.44 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 36.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.66 140.2 38.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.01 135.64 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.01 118.92 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.33 138.45 31.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER -131.2 136.5 48.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.985 0.422 . . . . 0.0 110.595 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.811 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.01 121.45 16.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.0 70.65 67.88 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.79 0.329 . . . . 0.0 111.406 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.23 140.96 60.89 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 111.361 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.435 ' N ' HG21 ' I' ' 2' ' ' THR . 6.4 m-85 -131.6 151.65 51.44 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.873 0.368 . . . . 0.0 111.647 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.513 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.735 0.302 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.33 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.551 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' J' ' 10' ' ' TYR . 53.1 mt -138.45 136.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.91 118.63 11.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.761 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.56 138.15 30.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.435 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.21 136.64 48.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.786 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.822 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.14 14.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.559 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -125.88 70.38 66.56 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.564 0.221 . . . . 0.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.18 144.59 81.85 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.247 1.965 . . . . 0.0 111.308 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.453 ' H ' HG21 ' J' ' 2' ' ' THR . 5.8 m-85 -133.99 149.58 51.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.882 0.373 . . . . 0.0 111.569 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.285 179.468 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.486 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.4 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.508 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' K' ' 10' ' ' TYR . 50.8 mt -138.23 136.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.0 118.53 11.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.899 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.424 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.5 138.23 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.62 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.875 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.13 121.4 14.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.33 69.68 68.69 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-O 120.609 0.243 . . . . 0.0 111.369 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HB3' ' HG2' ' D' ' 9' ' ' PRO . 35.7 Cg_endo -65.04 143.56 79.08 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.302 2.002 . . . . 0.0 111.286 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.664 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.177 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.486 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.27 37.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' L' ' 10' ' ' TYR . 53.4 mt -138.15 135.87 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.0 118.55 11.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.452 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.64 137.99 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.73 136.74 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.12 121.42 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.531 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.11 69.51 66.8 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.664 0.268 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -65.5 142.86 73.47 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.399 2.066 . . . . 0.0 111.258 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.99 149.37 52.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.654 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.097 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.502 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.742 0.306 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.28 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' M' ' 10' ' ' TYR . 52.3 mt -137.92 135.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -140.95 118.62 11.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.777 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.61 137.87 30.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.227 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.44 14.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.37 69.57 68.85 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.441 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.1 Cg_endo -65.73 143.67 75.01 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.228 1.952 . . . . 0.0 111.219 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.404 ' H ' HG21 ' M' ' 2' ' ' THR . 5.7 m-85 -131.38 147.96 52.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 111.553 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 5.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.524 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.332 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.34 37.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.408 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' N' ' 10' ' ' TYR . 54.6 mt -138.13 135.81 44.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.144 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.1 118.52 11.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.09 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.53 136.48 47.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.917 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.4 14.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.38 69.5 68.76 Favored Pre-proline 0 C--N 1.332 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.506 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 38.4 Cg_endo -66.0 143.4 72.22 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.296 1.997 . . . . 0.0 111.17 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.84 148.01 52.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.554 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 5.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.058 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.524 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.06 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.0 mt -137.82 135.52 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.12 118.45 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.59 138.17 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 136.44 47.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.917 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.747 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.34 121.28 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.583 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.23 69.12 67.09 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.597 0.237 . . . . 0.0 111.225 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.5 Cg_endo -66.13 141.72 64.67 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.235 1.957 . . . . 0.0 111.128 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.48 149.47 50.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 111.591 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 5.0 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.394 -0.813 . . . . 0.0 111.052 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.471 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.716 0.293 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.08 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.342 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' P' ' 10' ' ' TYR . 52.3 mt -137.67 134.98 46.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.38 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.534 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.74 138.22 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.14 47.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 121.27 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.23 67.96 64.64 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.6 Cg_endo -65.7 139.71 58.96 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.273 1.982 . . . . 0.0 111.18 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -125.53 150.75 47.15 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 111.891 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 4.5 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.197 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.75 37.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -138.74 135.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.76 119.14 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.17 138.58 31.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.236 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.49 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.02 47.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.01 121.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.138 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.15 69.63 67.33 Favored Pre-proline 0 C--O 1.233 0.193 0 CA-C-O 120.666 0.27 . . . . 0.0 111.257 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 35.7 Cg_endo -65.29 143.36 76.72 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.291 1.994 . . . . 0.0 111.754 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.446 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 6.6 m-85 -128.9 152.02 49.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.498 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 5.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.424 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.73 0.3 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.453 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.49 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -138.63 136.83 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.271 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.17 119.08 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.23 138.5 31.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.58 0.229 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.587 HD23 HD21 ' B' ' 7' ' ' LEU . 0.7 OUTLIER -131.57 136.51 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.963 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.19 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.265 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -126.96 70.36 74.18 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.695 0.284 . . . . 0.0 111.327 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.4 Cg_endo -66.46 144.06 71.88 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.304 2.002 . . . . 0.0 111.679 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD11 ' B' ' 3' ' ' ILE . 6.3 m-85 -129.74 150.72 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.501 ' HA ' ' HB2' ' K' ' 11' ' ' SER . 6.2 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.544 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.673 0.273 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.59 37.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 111.436 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt -139.37 137.03 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.455 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.24 119.14 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.642 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.25 138.22 31.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.629 0.252 . . . . 0.0 111.051 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.62 136.6 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.788 0.328 . . . . 0.0 111.051 179.725 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.45 121.13 14.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 69.45 68.73 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.2 Cg_endo -65.53 144.57 79.61 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.412 2.075 . . . . 0.0 111.749 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' C' ' 3' ' ' ILE . 6.2 m-85 -131.29 149.5 52.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.331 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 8.8 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.853 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.664 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.757 0.313 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.88 140.46 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.493 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -139.6 137.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.287 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.47 118.93 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.24 137.8 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.685 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.7 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.06 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.278 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.6 69.54 70.48 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-O 120.642 0.258 . . . . 0.0 111.186 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.74 144.9 79.55 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.372 2.048 . . . . 0.0 111.821 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' D' ' 3' ' ' ILE . 6.5 m-85 -131.64 149.99 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 11.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.027 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.664 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.841 0.353 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.54 37.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.48 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 56.7 mt -140.35 137.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 111.337 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.46 119.1 11.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.759 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 138.03 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.59 0.234 . . . . 0.0 111.135 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.675 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.32 136.39 48.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.55 121.04 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.338 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -126.32 68.89 67.4 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.588 0.233 . . . . 0.0 111.286 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 34.5 Cg_endo -64.92 145.21 85.22 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.323 2.016 . . . . 0.0 111.882 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.465 ' CE1' HD11 ' E' ' 3' ' ' ILE . 6.4 m-85 -132.62 148.83 52.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.658 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.704 0.288 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.1 140.54 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 111.612 -179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 58.9 mt -141.14 136.46 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.5 119.41 11.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.701 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.26 31.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.638 0.256 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.717 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.42 136.39 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.982 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.9 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.355 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.17 69.19 66.75 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.59 0.234 . . . . 0.0 111.368 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.538 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 35.4 Cg_endo -65.51 145.04 81.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.306 2.004 . . . . 0.0 111.664 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' F' ' 3' ' ' ILE . 6.5 m-85 -132.74 149.07 52.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 111.157 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 11.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.466 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -137.26 140.88 41.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.674 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -142.64 135.53 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.355 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.648 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.12 138.15 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.536 0.208 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.747 HD23 HD21 ' G' ' 7' ' ' LEU . 0.7 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.066 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.68 120.94 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.35 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.26 69.25 67.55 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 111.188 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 34.7 Cg_endo -65.47 145.12 81.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.384 2.056 . . . . 0.0 111.813 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.9 m-85 -132.8 148.45 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' P' ' 11' ' ' SER . 14.0 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -0.802 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.62 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.486 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 53.7 mt -139.86 137.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.91 119.17 12.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.643 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.2 31.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.594 0.235 . . . . 0.0 111.286 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.712 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.71 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.964 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.98 121.12 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.504 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.89 70.91 74.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.254 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.8 Cg_endo -67.34 144.02 66.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.51 2.14 . . . . 0.0 111.798 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' H' ' 3' ' ' ILE . 7.2 m-85 -132.53 147.15 52.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 17.1 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.03 140.4 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.309 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' I' ' 8' ' ' SER . 49.6 mt -139.77 135.59 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.81 119.01 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.45 31.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.45 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.677 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.78 121.41 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.694 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -127.07 70.61 75.04 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -65.82 142.58 70.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.485 2.123 . . . . 0.0 111.428 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.43 151.57 51.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.882 0.372 . . . . 0.0 111.628 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.783 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.497 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.43 37.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.554 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' J' ' 8' ' ' SER . 48.6 mt -138.8 136.41 43.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.297 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.19 118.79 11.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.51 138.21 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.179 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.4 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.35 136.83 48.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.799 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.842 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.91 121.19 14.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.0 m -126.98 70.24 74.19 Favored Pre-proline 0 N--CA 1.456 -0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.381 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.504 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -64.67 144.7 85.04 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.363 2.042 . . . . 0.0 111.26 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.429 ' H ' HG21 ' J' ' 2' ' ' THR . 5.3 m-85 -134.26 149.77 50.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 111.491 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.385 -0.816 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.522 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.27 37.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.437 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' K' ' 8' ' ' SER . 48.1 mt -138.3 135.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.58 11.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.683 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.21 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.46 136.78 48.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.844 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.842 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.34 14.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.533 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -127.25 70.35 75.37 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-O 120.658 0.266 . . . . 0.0 111.36 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.504 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.7 Cg_endo -65.55 143.12 74.13 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.267 1.978 . . . . 0.0 111.284 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.875 0.369 . . . . 0.0 111.553 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.165 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.522 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.648 0.261 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.52 140.33 37.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.307 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' L' ' 10' ' ' TYR . 48.2 mt -138.54 135.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.14 118.62 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.57 138.23 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.36 136.82 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.46 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.653 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -127.38 69.63 75.0 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.673 0.273 . . . . 0.0 111.522 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.33 142.94 74.94 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.324 2.016 . . . . 0.0 111.311 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -131.4 148.94 52.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.557 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.208 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.473 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.2 37.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.47 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' M' ' 10' ' ' TYR . 49.0 mt -138.37 135.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.4 118.62 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.684 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.64 138.33 30.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' F' ' 6' ' ' LEU . 0.7 OUTLIER -131.44 136.77 48.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.3 121.36 14.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -127.37 69.7 75.02 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-O 120.61 0.243 . . . . 0.0 111.358 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.56 142.77 72.7 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.341 2.028 . . . . 0.0 111.293 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.89 148.75 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.742 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.047 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.4 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' N' ' 10' ' ' TYR . 55.4 mt -138.76 135.56 43.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.273 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.24 118.58 11.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.772 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.507 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.37 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' HG ' ' E' ' 6' ' ' LEU . 0.7 OUTLIER -131.4 136.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.978 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.767 HD21 HD23 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 121.17 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.01 69.46 73.42 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.583 0.23 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.0 Cg_endo -65.92 141.61 65.49 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.359 2.039 . . . . 0.0 111.202 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.18 150.03 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.446 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.092 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.458 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.719 0.295 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.31 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.44 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 56.8 mt -138.69 135.24 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.14 118.44 11.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.634 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.52 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.58 138.59 30.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.93 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.875 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.793 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.27 121.18 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -127.61 69.49 75.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.664 0.269 . . . . 0.0 111.227 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.0 Cg_endo -66.31 142.18 65.37 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.278 1.985 . . . . 0.0 111.119 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -129.18 149.36 51.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.534 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.458 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.12 37.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' P' ' 8' ' ' SER . 52.3 mt -138.03 134.76 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.065 0.46 . . . . 0.0 111.229 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.87 118.32 11.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.906 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.572 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.89 138.71 30.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.47 136.43 47.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.25 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.375 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -127.35 68.31 72.93 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.525 0.202 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.7 Cg_endo -65.4 139.94 61.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.36 2.04 . . . . 0.0 111.141 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.28 151.13 47.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.823 0.344 . . . . 0.0 111.769 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.672 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.072 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.814 0.34 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.59 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.409 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -138.57 136.1 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.12 0.486 . . . . 0.0 111.494 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 118.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.762 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.28 138.62 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.53 136.2 47.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.172 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.95 121.14 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.195 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.479 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.5 m -127.48 68.91 74.5 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-O 120.584 0.23 . . . . 0.0 111.212 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.8 Cg_endo -64.58 143.04 80.19 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.336 2.024 . . . . 0.0 111.834 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 5.8 m-85 -128.68 152.27 48.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 111.339 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.654 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.01 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.429 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.336 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -139.11 136.66 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.378 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.27 119.11 11.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.616 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.08 138.65 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.606 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.63 136.74 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.13 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 121.19 14.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.374 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.475 ' HB2' HD13 ' B' ' 3' ' ' ILE . 74.8 m -127.67 69.4 75.84 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.637 0.256 . . . . 0.0 111.245 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.548 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.3 Cg_endo -65.23 144.03 79.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.293 1.996 . . . . 0.0 111.782 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.5 150.87 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 111.283 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 140.65 36.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.407 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.5 mt -139.47 137.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.351 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.48 119.07 11.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.6 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.602 0.239 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.625 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.58 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.61 120.97 13.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' C' ' 3' ' ' ILE . 70.8 m -127.83 69.48 76.55 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.9 Cg_endo -65.25 144.73 81.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.355 2.037 . . . . 0.0 111.751 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' C' ' 3' ' ' ILE . 5.8 m-85 -131.55 150.04 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.237 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.036 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.767 0.317 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 140.65 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.361 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.08 136.83 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.399 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.41 119.15 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -142.16 138.76 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.595 0.236 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.61 136.71 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.53 121.09 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.439 ' HB2' HD13 ' D' ' 3' ' ' ILE . 75.6 m -127.87 69.19 76.39 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.672 0.272 . . . . 0.0 111.31 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 36.0 Cg_endo -65.15 145.16 83.83 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.387 2.058 . . . . 0.0 111.809 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' D' ' 3' ' ' ILE . 5.9 m-85 -132.33 149.36 52.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.521 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.47 37.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.533 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -140.81 136.46 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.429 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.669 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.06 138.77 31.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.619 0.247 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.65 48.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.978 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.67 120.88 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.464 ' HB2' HD13 ' E' ' 3' ' ' ILE . 72.1 m -127.65 69.64 76.01 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.628 0.251 . . . . 0.0 111.298 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 35.0 Cg_endo -65.11 145.12 83.99 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.328 2.019 . . . . 0.0 111.797 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.7 m-85 -132.43 149.73 52.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.56 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.44 140.62 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.415 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.61 136.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.4 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.52 119.27 11.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.712 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.27 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.589 0.233 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.767 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.49 136.54 48.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 111.009 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 120.83 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.304 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.472 ' HB2' HD13 ' F' ' 3' ' ' ILE . 72.5 m -127.9 69.69 77.01 Favored Pre-proline 0 C--O 1.233 0.19 0 CA-C-O 120.605 0.24 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.518 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.5 Cg_endo -65.46 145.19 82.08 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.369 2.046 . . . . 0.0 111.69 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.7 m-85 -132.7 148.99 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.769 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.56 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.505 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.32 140.94 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -142.59 135.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.155 0.503 . . . . 0.0 111.447 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.48 119.4 11.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.52 31.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.643 0.259 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.793 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.49 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.94 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.337 179.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.455 ' HB2' HD13 ' G' ' 3' ' ' ILE . 73.0 m -127.87 69.21 76.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.621 0.248 . . . . 0.0 111.277 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.8 Cg_endo -65.2 145.12 83.46 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.309 2.006 . . . . 0.0 111.727 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.2 m-85 -133.11 148.68 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.808 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.542 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.39 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.309 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 52.5 mt -139.51 137.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.211 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.09 119.15 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.642 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.72 31.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.558 0.218 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.753 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.9 48.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.74 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.03 121.28 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.465 ' HB2' HD13 ' H' ' 3' ' ' ILE . 73.7 m -128.34 71.23 79.82 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.705 0.288 . . . . 0.0 111.347 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -67.53 144.29 66.26 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.415 2.077 . . . . 0.0 111.813 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -133.17 147.82 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.789 0.328 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.3 38.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.351 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' I' ' 8' ' ' SER . 43.3 mt -138.69 135.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.86 118.9 11.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.937 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.35 137.19 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.42 136.48 49.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.08 121.61 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.76 -179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.72 70.89 66.32 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.301 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HB3' ' HG2' ' B' ' 9' ' ' PRO . 39.5 Cg_endo -66.43 142.53 65.97 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.538 2.158 . . . . 0.0 111.447 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.452 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.67 151.03 51.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.752 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' B' ' 11' ' ' SER . 22.1 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.576 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.299 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.513 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' J' ' 8' ' ' SER . 45.8 mt -138.33 136.18 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -140.9 118.61 11.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.819 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.433 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.6 137.7 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.48 48.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.675 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.868 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.08 121.44 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -125.61 70.62 65.09 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-O 120.61 0.243 . . . . 0.0 111.372 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 36.4 Cg_endo -65.23 143.98 79.35 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.296 1.997 . . . . 0.0 111.264 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.59 149.6 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.666 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 11' ' ' SER . 17.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.286 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.715 0.293 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.26 37.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.503 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.684 HD13 ' HB2' ' K' ' 8' ' ' SER . 42.3 mt -137.57 136.06 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.09 118.55 11.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.778 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.65 137.75 30.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.166 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.2 136.41 48.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.803 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.39 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.61 70.38 64.67 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.573 0.225 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.6 Cg_endo -65.11 144.34 81.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.152 1.901 . . . . 0.0 111.336 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.421 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -133.34 147.96 51.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 111.618 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' D' ' 11' ' ' SER . 20.3 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.465 -0.779 . . . . 0.0 111.211 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.42 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.431 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' L' ' 8' ' ' SER . 47.3 mt -137.84 136.34 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.13 118.4 11.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.882 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.89 137.15 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.282 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.51 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.798 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.44 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.52 69.37 62.15 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.427 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.0 Cg_endo -64.85 144.29 82.74 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.302 2.001 . . . . 0.0 111.171 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -132.84 148.58 52.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 111.542 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' C' ' 11' ' ' SER . 18.3 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.149 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.534 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.715 0.293 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.26 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.535 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.7 mt -137.74 135.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.23 118.36 11.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.459 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.1 121.32 14.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -125.79 69.14 63.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.597 0.237 . . . . 0.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.2 Cg_endo -65.02 143.41 78.69 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.339 2.026 . . . . 0.0 111.132 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.25 148.88 52.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.645 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 19.9 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.033 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.511 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.629 0.252 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.32 37.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' N' ' 8' ' ' SER . 52.6 mt -137.15 135.75 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.18 118.24 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.802 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -143.03 137.88 29.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.2 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.8 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.789 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.19 121.33 14.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.06 69.08 65.72 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-N 116.735 -0.212 . . . . 0.0 111.325 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.9 Cg_endo -65.64 143.51 75.02 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.361 2.04 . . . . 0.0 111.169 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.98 148.51 52.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.558 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 18.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.093 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.511 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 140.19 37.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.385 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.687 HD13 ' HB2' ' O' ' 8' ' ' SER . 46.8 mt -137.51 135.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.18 118.49 11.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.978 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.477 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.81 138.08 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.176 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.69 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.53 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.32 68.65 66.89 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 38.2 Cg_endo -65.54 143.11 74.17 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.368 2.045 . . . . 0.0 111.067 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.412 ' H ' HG21 ' O' ' 2' ' ' THR . 5.1 m-85 -130.08 147.96 51.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 111.74 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 21.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.093 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.489 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.0 37.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.6 mt -136.99 134.86 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.71 118.23 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.971 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.54 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -143.0 138.0 29.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.336 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.57 136.26 47.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.25 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.13 68.4 64.86 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.532 0.206 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 40.6 Cg_endo -65.68 141.24 65.4 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.284 1.989 . . . . 0.0 111.133 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.48 148.12 50.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.383 . . . . 0.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.512 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 13.2 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.55 140.63 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.43 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -137.9 135.9 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.434 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.8 118.86 11.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.23 138.15 31.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.65 136.15 47.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 121.14 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.218 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 3' ' ' ILE . 1.3 m -125.49 69.25 61.7 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 120.61 0.243 . . . . 0.0 111.193 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.7 Cg_endo -64.66 143.72 81.9 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 111.81 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.9 m-85 -129.68 150.88 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 17.9 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.026 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.554 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 140.69 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mt -138.59 136.82 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.297 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.41 119.06 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.609 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.21 138.25 31.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.593 0.235 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.611 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.6 136.57 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.97 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.701 ' HB2' HD13 ' B' ' 3' ' ' ILE . 1.4 m -125.95 70.24 66.84 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 36.6 Cg_endo -65.99 144.25 75.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.338 2.026 . . . . 0.0 111.659 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.64 149.81 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.39 . . . . 0.0 111.35 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.557 ' HB2' ' HA ' ' I' ' 11' ' ' SER . 24.0 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.421 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.68 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.439 -179.65 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 mt -138.94 137.22 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.3 119.11 11.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.663 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.24 137.77 30.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.554 0.216 . . . . 0.0 111.003 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.613 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.47 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 111.032 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.66 120.88 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.684 ' HB2' HD13 ' C' ' 3' ' ' ILE . 1.2 m -125.65 69.57 63.52 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-O 120.67 0.271 . . . . 0.0 111.233 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.506 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.4 Cg_endo -65.38 145.04 82.23 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.271 1.98 . . . . 0.0 111.73 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.8 m-85 -131.87 149.48 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.307 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 35.1 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.96 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.565 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.792 0.33 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.65 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.477 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -139.76 137.0 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.394 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.32 119.19 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.659 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.26 137.63 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.594 0.235 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.652 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.51 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.968 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 121.09 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.338 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.695 ' HB2' HD13 ' D' ' 3' ' ' ILE . 1.2 m -125.99 70.03 66.76 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.656 0.265 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -65.8 144.71 78.47 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.405 2.07 . . . . 0.0 111.756 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -131.93 149.13 52.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.264 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 32.0 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.02 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.59 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.22 140.57 37.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.528 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.35 137.12 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.443 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.45 119.24 11.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.617 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.31 137.32 30.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.553 0.216 . . . . 0.0 111.091 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.42 48.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.91 0.385 . . . . 0.0 110.914 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 121.02 14.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.387 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.692 ' HB2' HD13 ' E' ' 3' ' ' ILE . 1.3 m -126.05 70.18 67.45 Favored Pre-proline 0 C--O 1.232 0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 111.21 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 36.8 Cg_endo -66.0 145.18 78.87 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.387 2.058 . . . . 0.0 111.749 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.9 m-85 -132.58 149.01 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' L' ' 11' ' ' SER . 38.1 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.59 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.291 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.73 38.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.648 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -140.98 136.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.313 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.46 119.31 11.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.34 30.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.619 0.247 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.719 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.27 47.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 120.87 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.703 ' HB2' HD13 ' F' ' 3' ' ' ILE . 1.3 m -125.81 69.81 65.12 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.593 0.235 . . . . 0.0 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.9 Cg_endo -65.53 145.22 81.74 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.413 2.076 . . . . 0.0 111.712 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.476 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.9 m-85 -133.29 148.26 51.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.159 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 36.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.457 -0.782 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.747 0.308 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.05 140.77 40.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.754 -179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -142.26 135.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.457 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.41 119.24 11.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.622 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.51 30.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.566 0.222 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.728 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 120.88 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.687 ' HB2' HD13 ' G' ' 3' ' ' ILE . 1.2 m -125.94 69.47 65.45 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 111.221 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.597 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 35.4 Cg_endo -65.59 145.35 81.76 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.404 2.069 . . . . 0.0 111.762 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.4 m-85 -133.68 147.95 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.099 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' N' ' 11' ' ' SER . 50.3 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.138 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.69 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 mt -139.09 137.4 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.99 119.22 12.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.792 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.61 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.543 0.211 . . . . 0.0 111.21 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.736 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.25 136.63 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 110.85 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.05 121.32 14.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.632 ' HB2' HD13 ' H' ' 3' ' ' ILE . 1.2 m -126.3 70.88 70.31 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.695 0.284 . . . . 0.0 111.197 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.597 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.9 Cg_endo -66.79 144.88 73.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.461 2.107 . . . . 0.0 111.793 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.403 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.7 m-85 -133.76 147.07 51.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.237 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 51.1 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.794 . . . . 0.0 111.079 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.6 140.28 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' I' ' 8' ' ' SER . 44.8 mt -139.35 135.31 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.21 138.7 31.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 1.0 OUTLIER -131.38 136.61 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.74 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.24 121.55 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.375 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -125.61 69.43 62.95 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.617 0.246 . . . . 0.0 111.395 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 36.6 Cg_endo -65.07 141.28 69.31 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.614 2.21 . . . . 0.0 111.507 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.45 152.53 51.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.901 0.382 . . . . 0.0 111.531 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.651 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.486 -0.769 . . . . 0.0 111.455 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.464 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.699 0.285 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 140.46 38.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.46 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' J' ' 8' ' ' SER . 47.9 mt -138.59 135.88 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.518 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.779 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.416 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.43 138.2 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.227 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.9 OUTLIER -131.41 136.51 48.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.721 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.84 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.41 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -125.4 69.68 61.84 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.9 Cg_endo -64.55 142.91 79.87 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.214 1.942 . . . . 0.0 111.413 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.452 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.73 150.58 50.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.954 0.407 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.651 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.382 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.54 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.689 0.28 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.39 37.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.388 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' K' ' 8' ' ' SER . 47.7 mt -138.36 135.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.14 118.69 11.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.854 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.458 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.6 137.78 30.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.34 136.45 48.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.704 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.84 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.51 14.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -125.86 68.54 63.06 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-O 120.619 0.247 . . . . 0.0 111.382 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 31.7 Cg_endo -63.75 143.37 86.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.329 2.019 . . . . 0.0 111.36 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.456 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.29 150.02 50.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 111.504 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.369 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.54 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.724 0.297 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.42 37.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.343 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' L' ' 8' ' ' SER . 48.0 mt -138.3 135.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.15 118.74 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.864 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.56 138.33 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.271 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.452 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.71 136.7 47.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.847 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.43 14.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.2 m -126.02 69.3 65.78 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.567 0.222 . . . . 0.0 111.277 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.51 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.5 Cg_endo -65.06 143.04 77.09 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.23 1.953 . . . . 0.0 111.318 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.435 ' H ' HG21 ' L' ' 2' ' ' THR . 5.0 m-85 -133.2 149.69 52.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.532 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.595 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.219 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.692 0.282 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 140.24 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.328 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.0 mt -137.53 135.54 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.18 118.52 11.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.813 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.81 138.17 30.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.262 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.452 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.63 136.42 47.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.51 14.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -126.14 68.82 65.81 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.514 0.197 . . . . 0.0 111.327 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.6 Cg_endo -64.92 143.46 79.5 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.325 2.017 . . . . 0.0 111.229 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.407 ' H ' HG21 ' M' ' 2' ' ' THR . 4.8 m-85 -133.46 150.12 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.861 0.362 . . . . 0.0 111.395 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.596 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.437 -0.792 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.686 0.279 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.19 37.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.356 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.534 HD13 ' HB2' ' N' ' 8' ' ' SER . 47.1 mt -137.92 135.42 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.2 118.55 11.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.69 138.1 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.49 136.52 47.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.36 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 47.8 m -125.84 68.63 63.07 Favored Pre-proline 0 C--O 1.233 0.191 0 CA-C-O 120.585 0.231 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.4 Cg_endo -65.2 142.16 72.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.301 2.001 . . . . 0.0 111.111 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.66 150.68 52.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 111.536 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.596 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.039 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.22 37.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.28 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' O' ' 8' ' ' SER . 50.0 mt -137.47 135.4 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.28 118.58 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.84 138.43 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.274 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.7 136.45 47.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.56 121.4 14.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -125.85 68.08 61.89 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.346 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.502 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 36.9 Cg_endo -64.92 141.72 72.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.331 2.02 . . . . 0.0 111.185 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.89 150.33 52.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 111.6 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.056 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.463 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.757 0.313 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.8 140.24 38.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.388 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' P' ' 8' ' ' SER . 47.4 mt -137.93 134.5 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.15 0.5 . . . . 0.0 111.197 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.4 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.84 138.3 30.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.28 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.66 136.04 47.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.05 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.46 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 40.2 m -125.75 67.25 59.2 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.518 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 36.9 Cg_endo -64.35 140.46 70.31 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.236 1.957 . . . . 0.0 111.264 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -128.45 151.84 48.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.804 0.335 . . . . 0.0 111.694 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.153 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.687 0.28 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.67 140.69 38.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.305 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.8 mt -138.74 135.39 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.519 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.89 118.81 11.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.93 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.188 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.487 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.72 136.09 47.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.17 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.277 179.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' A' ' 3' ' ' ILE . 49.0 m -125.88 68.51 63.1 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.8 Cg_endo -64.02 142.98 83.52 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.336 2.024 . . . . 0.0 111.823 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.464 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -130.6 152.87 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 111.446 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.411 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.452 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.51 37.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 45.3 mt -138.72 136.26 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.341 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.13 119.24 12.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.617 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.58 31.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.611 0.243 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.48 136.48 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.038 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.98 13.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' B' ' 3' ' ' ILE . 44.0 m -126.03 69.35 65.94 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-O 120.619 0.247 . . . . 0.0 111.174 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.6 Cg_endo -65.19 143.7 78.64 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.387 2.058 . . . . 0.0 111.717 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -131.9 151.75 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 111.285 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.518 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.456 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.54 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 mt -139.48 136.47 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.39 119.06 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.631 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.15 138.76 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.616 0.246 . . . . 0.0 110.925 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.603 HD23 HD21 ' C' ' 7' ' ' LEU . 0.8 OUTLIER -131.64 136.29 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.0 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.07 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.384 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' C' ' 3' ' ' ILE . 51.0 m -126.56 68.96 69.37 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.633 0.254 . . . . 0.0 111.184 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 32.8 Cg_endo -64.77 144.54 83.99 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.325 2.017 . . . . 0.0 111.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.7 m-85 -132.96 150.74 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.221 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.578 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.435 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.49 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.339 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.48 136.55 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.49 119.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.751 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.87 31.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.571 0.224 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.667 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.47 136.42 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.971 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.57 121.08 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.341 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.535 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.2 m -125.72 68.78 62.47 Favored Pre-proline 0 N--CA 1.456 -0.159 0 CA-C-O 120.667 0.27 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 31.7 Cg_endo -64.5 144.72 85.98 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.393 2.062 . . . . 0.0 111.696 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.6 m-85 -134.11 150.72 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.244 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.627 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.578 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.752 0.31 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.78 37.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.546 -179.477 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.58 136.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.37 119.25 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.66 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.13 31.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.58 0.229 . . . . 0.0 111.052 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.671 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.22 47.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.922 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.96 13.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' E' ' 3' ' ' ILE . 34.5 m -126.2 68.56 65.73 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 111.183 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 31.3 Cg_endo -64.33 144.95 87.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.314 2.01 . . . . 0.0 111.819 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.479 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.7 m-85 -134.19 150.56 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.203 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.627 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.649 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.2 140.56 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 -179.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -140.98 136.68 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.152 0.501 . . . . 0.0 111.502 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.58 119.12 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.648 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.86 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.556 0.217 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.74 HD23 HD21 ' F' ' 7' ' ' LEU . 0.8 OUTLIER -131.54 136.26 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.072 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.93 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.534 ' HB2' HD13 ' F' ' 3' ' ' ILE . 38.5 m -125.97 68.63 64.12 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.666 0.27 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 31.6 Cg_endo -64.23 145.18 88.42 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.364 2.043 . . . . 0.0 111.724 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.47 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.7 m-85 -134.6 149.89 50.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.26 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.649 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.754 0.312 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.518 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.89 140.75 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.65 -179.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.59 136.03 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.48 119.14 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.749 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 138.38 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.746 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.13 47.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.908 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 120.75 13.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.454 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' G' ' 3' ' ' ILE . 41.2 m -125.77 68.51 62.26 Favored Pre-proline 0 C--O 1.232 0.163 0 CA-C-O 120.651 0.263 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.587 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.28 145.23 88.25 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.333 2.022 . . . . 0.0 111.646 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.439 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 5.8 m-85 -135.48 149.61 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.093 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.063 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.508 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.65 38.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.364 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -139.89 137.23 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.16 119.42 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 138.85 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.611 0.243 . . . . 0.0 111.276 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.732 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.52 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.12 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.4 m -126.57 70.04 70.95 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.307 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.3 Cg_endo -66.6 143.22 67.63 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.408 2.072 . . . . 0.0 111.868 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -134.34 148.51 50.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.68 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.539 -0.743 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mt -138.39 135.32 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.06 12.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.24 137.74 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.236 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.5 136.44 48.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.852 0.358 . . . . 0.0 110.578 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.48 121.48 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.43 71.63 71.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.756 0.312 . . . . 0.0 111.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.3 Cg_endo -65.83 142.94 71.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.525 2.15 . . . . 0.0 111.5 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.65 151.48 51.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 111.618 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.539 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.44 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.36 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 111.515 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -138.16 135.25 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.08 118.9 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.32 138.29 31.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.267 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.22 136.5 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.734 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.82 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.5 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.09 70.62 68.49 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.627 0.251 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.6 Cg_endo -64.51 143.89 83.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.334 2.023 . . . . 0.0 111.349 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.86 149.52 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 111.621 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.756 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.388 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.46 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.69 135.13 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.66 11.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.864 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.4 138.37 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.261 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.5 48.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.39 121.33 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -126.32 69.68 68.63 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.597 0.237 . . . . 0.0 111.362 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.4 Cg_endo -64.1 144.37 87.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.419 2.079 . . . . 0.0 111.407 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.23 149.62 50.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 0.0 111.557 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.701 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.187 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.562 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.67 0.272 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.16 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.439 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -137.65 135.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.3 118.79 11.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.47 138.22 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.3 136.54 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 121.35 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.3 70.0 68.98 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.634 0.254 . . . . 0.0 111.329 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.529 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.71 143.26 80.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.338 2.026 . . . . 0.0 111.39 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.442 ' H ' HG21 ' L' ' 2' ' ' THR . 4.9 m-85 -132.71 148.46 52.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 0.0 111.787 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.673 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.198 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.751 0.31 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.42 37.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.453 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.428 HD11 ' CE1' ' M' ' 10' ' ' TYR . 51.8 mt -137.77 134.98 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.31 118.77 11.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.837 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.52 138.46 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.316 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.4 48.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.8 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.48 121.47 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -126.57 69.89 70.79 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.372 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.2 Cg_endo -64.75 143.23 79.74 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.328 2.019 . . . . 0.0 111.443 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.28 148.28 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.585 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.67 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.157 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.61 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.361 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.6 mt -137.98 135.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.24 118.68 11.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.451 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.54 138.04 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.288 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.56 136.36 47.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.818 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.56 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -126.16 69.37 66.97 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.474 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 35.9 Cg_endo -64.63 142.4 77.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 0.0 111.269 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -130.78 149.09 52.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.897 0.38 . . . . 0.0 111.564 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.674 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 111.198 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.663 0.268 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.31 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.411 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.3 mt -137.8 135.62 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.37 118.74 11.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.773 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.498 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.6 137.84 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.324 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.38 136.37 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.984 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.771 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.43 121.59 14.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.69 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -126.62 69.12 70.03 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.562 0.22 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.487 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.1 Cg_endo -64.86 142.72 77.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.367 2.045 . . . . 0.0 111.255 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.58 148.78 52.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.877 0.37 . . . . 0.0 111.658 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.674 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.022 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.405 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.37 37.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' P' ' 10' ' ' TYR . 54.3 mt -137.45 134.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.79 118.55 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.521 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.83 138.43 30.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.425 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 136.06 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.19 121.52 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.516 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -126.39 68.25 66.52 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 36.1 Cg_endo -63.99 140.74 74.09 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.341 2.027 . . . . 0.0 111.107 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -128.18 149.45 50.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.841 0.353 . . . . 0.0 111.764 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.093 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.482 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.64 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 mt -137.61 135.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.34 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.85 119.03 12.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.77 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.64 31.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.259 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -131.66 135.54 46.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.171 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.15 121.18 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.345 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -126.27 69.42 67.85 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.229 . . . . 0.0 111.329 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.3 Cg_endo -63.93 144.45 88.11 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.81 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.44 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -131.16 151.29 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.376 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.77 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.419 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.18 136.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.18 119.22 11.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.618 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -142.27 138.22 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.622 0.248 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.604 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.45 136.44 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.8 121.08 13.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.473 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.6 m -126.39 70.12 69.78 Favored Pre-proline 0 C--O 1.231 0.118 0 CA-C-O 120.721 0.296 . . . . 0.0 111.24 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.574 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 34.1 Cg_endo -64.82 145.05 85.41 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.407 2.071 . . . . 0.0 111.783 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.5 m-85 -132.71 150.04 52.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.721 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.53 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.749 0.309 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.58 140.76 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.396 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -138.57 136.34 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.331 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.31 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.692 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.35 138.03 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.545 0.212 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.642 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.43 136.47 48.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 121.01 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -126.18 70.05 68.21 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.617 0.246 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 35.2 Cg_endo -65.19 144.61 81.87 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.336 2.024 . . . . 0.0 111.765 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.6 m-85 -132.32 149.71 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.721 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.065 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.683 0.277 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.442 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.83 140.71 36.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -138.86 136.59 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.53 119.1 11.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.564 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.2 137.82 31.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.563 0.22 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.64 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.42 136.34 47.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.99 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.37 70.13 69.7 Favored Pre-proline 0 CA--C 1.528 0.123 0 CA-C-O 120.591 0.234 . . . . 0.0 111.202 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.518 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 34.3 Cg_endo -65.21 145.22 83.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.368 2.045 . . . . 0.0 111.62 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.463 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -133.28 149.01 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.706 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.033 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.576 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.814 0.34 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.71 140.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.57 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 53.1 mt -139.45 136.5 40.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.45 119.42 11.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.624 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.68 30.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.548 0.214 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.696 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.13 136.11 48.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.78 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.96 13.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.673 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -126.3 69.72 68.51 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.625 0.25 . . . . 0.0 111.181 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.79 145.12 85.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.325 2.017 . . . . 0.0 111.758 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.6 m-85 -133.74 148.73 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.055 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.71 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.377 -0.821 . . . . 0.0 110.987 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.576 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.57 140.85 37.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.686 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -140.85 136.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.457 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.55 119.23 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.693 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 138.34 32.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.566 0.222 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.714 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.26 47.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.019 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.96 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.442 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.29 69.1 67.49 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-O 120.617 0.246 . . . . 0.0 111.354 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.6 Cg_endo -64.14 145.27 88.97 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.351 2.034 . . . . 0.0 111.889 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.8 m-85 -133.92 148.4 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.155 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.746 0.308 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.47 140.8 37.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.764 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 57.6 mt -141.07 135.89 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.507 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.62 119.51 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.663 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.8 137.81 31.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.672 0.272 . . . . 0.0 111.226 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.771 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.27 136.19 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.864 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 120.89 13.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.363 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.32 69.75 68.73 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-O 120.718 0.294 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.628 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.9 Cg_endo -64.78 145.22 85.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.386 2.057 . . . . 0.0 111.791 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.492 ' CE1' HD11 ' G' ' 3' ' ' ILE . 5.9 m-85 -134.57 148.13 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.44 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.45 137.1 40.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.281 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.22 119.56 12.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.746 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.91 138.19 31.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.338 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.24 136.34 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.32 14.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.586 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 7.5 m -127.26 71.96 76.74 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.739 0.304 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.628 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.7 Cg_endo -67.41 143.28 62.91 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.387 2.058 . . . . 0.0 112.012 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.4 m-85 -132.93 147.25 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.15 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.703 0.287 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' HG23 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.13 136.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.451 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -143.05 132.31 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.11 119.06 12.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' I' ' 6' ' ' LEU . . . -141.92 126.78 18.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 1.7 pp -129.46 136.33 49.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.421 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.634 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.27 121.79 36.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.305 -179.037 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -117.92 72.62 8.75 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' B' ' 9' ' ' PRO . 32.8 Cg_exo -61.66 143.31 96.48 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.721 2.281 . . . . 0.0 112.14 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' N ' HG21 ' I' ' 2' ' ' THR . 1.8 m-85 -135.87 139.48 43.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.424 ' OXT' ' HB3' ' B' ' 11' ' ' SER . 10.8 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.606 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.707 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . 0.438 HG23 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.42 137.51 35.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.366 . . . . 0.0 111.512 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.799 HD12 ' HE1' ' I' ' 10' ' ' TYR . 3.4 mt -143.04 132.68 21.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.11 118.79 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.096 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 1.081 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -141.92 124.77 16.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 1.7 pp -128.04 136.22 50.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.875 HD12 ' HB1' ' I' ' 4' ' ' ALA . 0.0 OUTLIER -123.44 121.43 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.327 -179.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -117.61 72.59 7.85 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.881 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.645 ' HA ' ' HD2' ' C' ' 9' ' ' PRO . 35.8 Cg_exo -60.81 145.05 99.58 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.687 2.258 . . . . 0.0 112.099 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.556 ' N ' HG21 ' J' ' 2' ' ' THR . 1.7 m-85 -137.32 138.27 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.452 ' HB2' ' OG1' ' J' ' 2' ' ' THR . 11.9 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HB2' ' HE2' ' J' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' HG23 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.7 137.23 34.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.414 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.757 HD12 ' HE1' ' J' ' 10' ' ' TYR . 4.0 mt -143.09 132.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -140.2 118.81 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.137 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' K' ' 6' ' ' LEU . . . -141.85 125.14 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' D' ' 6' ' ' LEU . 1.6 pp -128.32 136.08 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.9 HD12 ' HB1' ' J' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.64 36.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.329 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -118.0 72.27 8.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.944 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.645 ' HD2' ' HA ' ' B' ' 9' ' ' PRO . 38.4 Cg_exo -60.37 145.41 98.7 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.732 2.288 . . . . 0.0 112.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 1.7 m-85 -137.56 136.82 37.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.405 ' HB3' ' OXT' ' B' ' 11' ' ' SER . 9.9 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.556 ' HB2' ' HE2' ' K' ' 10' ' ' TYR . 12.9 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.657 0.265 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . 0.515 HG23 ' HB ' ' C' ' 2' ' ' THR . 0.2 OUTLIER -139.64 137.51 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.772 HD12 ' HE1' ' K' ' 10' ' ' TYR . 4.9 mt -143.22 132.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -140.23 118.7 12.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.041 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 1.06 ' HB1' HD21 ' L' ' 6' ' ' LEU . . . -141.93 126.17 17.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 1.6 pp -129.51 136.25 49.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.961 HD12 ' HB1' ' K' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.69 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.301 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -118.23 72.14 9.32 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.848 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.619 ' HD2' ' HA ' ' C' ' 9' ' ' PRO . 35.0 Cg_exo -60.9 145.31 99.24 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.714 2.276 . . . . 0.0 112.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.535 ' N ' HG21 ' L' ' 2' ' ' THR . 1.7 m-85 -136.91 137.12 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.922 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.413 ' HB2' ' HE2' ' L' ' 10' ' ' TYR . 14.0 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.807 0.336 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . 0.45 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.54 137.4 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.705 HD12 ' HE1' ' L' ' 10' ' ' TYR . 4.6 mt -143.11 132.38 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -140.14 118.51 12.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.063 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 1.011 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.04 124.94 16.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.512 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 1.6 pp -128.67 136.22 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.631 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.928 HD12 ' HB1' ' L' ' 4' ' ' ALA . 0.0 OUTLIER -123.68 121.46 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.205 -179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -118.11 72.62 9.28 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.606 ' HD2' ' HA ' ' D' ' 9' ' ' PRO . 31.6 Cg_exo -61.39 145.23 98.39 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.81 2.34 . . . . 0.0 112.077 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.519 ' H ' HG21 ' M' ' 2' ' ' THR . 1.7 m-85 -136.16 137.11 40.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 9.8 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.502 ' HB2' ' HE2' ' M' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.733 0.301 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . 0.441 HG23 ' HB ' ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.5 137.46 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.389 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.728 HD12 ' HE1' ' M' ' 10' ' ' TYR . 5.0 mt -143.31 132.51 20.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -140.25 118.55 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.118 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' N' ' 6' ' ' LEU . . . -141.94 125.1 16.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 1.7 pp -128.72 136.04 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.51 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' M' ' 4' ' ' ALA . 0.0 OUTLIER -123.58 121.58 35.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.157 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -118.2 72.28 9.33 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' HA ' ' E' ' 9' ' ' PRO . 29.5 Cg_exo -61.31 145.09 98.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.786 2.324 . . . . 0.0 111.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.58 ' H ' HG21 ' N' ' 2' ' ' THR . 1.6 m-85 -135.77 135.94 40.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.485 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 9.3 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.417 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 13.8 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . 0.497 ' HB ' HG23 ' H' ' 2' ' ' THR . 0.2 OUTLIER -139.36 137.71 35.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.599 ' HB ' HG12 ' F' ' 3' ' ' ILE . 5.3 mt -142.99 132.24 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -140.09 118.24 11.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.032 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' O' ' 6' ' ' LEU . . . -142.26 123.94 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.578 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 1.7 pp -128.48 136.18 50.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.489 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.906 HD12 ' HB1' ' N' ' 4' ' ' ALA . 0.0 OUTLIER -123.49 121.66 36.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -117.98 72.1 8.6 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.72 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' N' ' 4' ' ' ALA . 28.5 Cg_exo -61.5 145.2 98.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.609 2.206 . . . . 0.0 111.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.595 ' H ' HG21 ' O' ' 2' ' ' THR . 1.6 m-85 -135.5 136.33 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 10.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.599 0.237 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . 0.497 HG23 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.59 137.92 35.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.278 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' P' ' 10' ' ' TYR . 5.2 mt -142.97 131.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 111.232 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.27 118.37 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' P' ' 6' ' ' LEU . . . -142.51 124.12 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.942 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.569 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 1.7 pp -127.97 135.99 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.375 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' O' ' 4' ' ' ALA . 0.0 OUTLIER -123.75 121.62 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.161 -179.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -118.38 71.66 9.43 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' O' ' 4' ' ' ALA . 27.2 Cg_exo -61.56 144.95 98.1 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.67 2.247 . . . . 0.0 111.799 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.45 135.57 42.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.941 0.4 . . . . 0.0 111.358 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 8.6 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.745 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . 0.439 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.697 0.284 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.547 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.14 35.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' J' ' 3' ' ' ILE . 7.5 mt -143.56 133.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 111.513 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . 0.875 ' HB1' HD12 ' B' ' 7' ' ' LEU . . . -140.79 118.66 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.76 121.46 12.6 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 5' ' ' ALA . 1.8 pp -125.78 136.59 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.471 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' I' ' 9' ' ' PRO . 0.0 OUTLIER -123.06 122.39 38.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.372 -179.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -116.98 72.16 5.87 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.73 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' I' ' 7' ' ' LEU . 35.3 Cg_exo -59.95 145.4 98.43 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.642 2.228 . . . . 0.0 112.259 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.799 ' HE1' HD12 ' B' ' 3' ' ' ILE . 1.9 m-85 -136.03 138.32 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.353 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 8.9 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.439 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 13.1 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.645 0.259 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.556 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.61 138.3 36.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . 0.638 ' HB ' HG12 ' K' ' 3' ' ' ILE . 7.4 mt -143.77 133.75 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.303 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . 0.9 ' HB1' HD12 ' C' ' 7' ' ' LEU . . . -140.7 118.86 11.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.71 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 1.081 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 pp -124.95 136.4 53.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.723 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.51 ' C ' ' HD3' ' J' ' 9' ' ' PRO . 0.0 OUTLIER -122.22 122.21 38.62 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.351 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m -116.88 72.08 5.69 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.652 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.51 ' HD3' ' C ' ' J' ' 7' ' ' LEU . 39.3 Cg_exo -60.46 145.49 98.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.656 2.237 . . . . 0.0 112.201 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.757 ' HE1' HD12 ' C' ' 3' ' ' ILE . 1.9 m-85 -136.83 137.91 40.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.1 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.506 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 13.0 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.738 0.304 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.11 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . 0.638 HG12 ' HB ' ' J' ' 3' ' ' ILE . 7.3 mt -143.73 133.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 0.0 111.22 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . 0.961 ' HB1' HD12 ' D' ' 7' ' ' LEU . . . -140.57 118.76 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 120.53 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' C' ' 5' ' ' ALA . 1.8 pp -125.81 136.21 52.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 110.636 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.502 ' C ' ' HD3' ' K' ' 9' ' ' PRO . 0.0 OUTLIER -122.37 122.3 38.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.491 -179.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 71.86 5.95 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.876 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' K' ' 7' ' ' LEU . 39.1 Cg_exo -60.68 145.51 98.77 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.639 2.226 . . . . 0.0 112.286 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.772 ' HE1' HD12 ' D' ' 3' ' ' ILE . 1.9 m-85 -136.69 138.35 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.6 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.506 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.548 ' HB ' HG23 ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.86 137.95 35.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' M' ' 3' ' ' ILE . 7.7 mt -143.62 133.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.157 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . 0.928 ' HB1' HD12 ' E' ' 7' ' ' LEU . . . -140.76 118.67 11.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.299 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.57 122.13 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 1.06 HD21 ' HB1' ' D' ' 5' ' ' ALA . 1.8 pp -127.27 136.33 51.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -122.63 122.14 38.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.395 -179.187 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -117.39 72.23 7.02 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.719 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' L' ' 7' ' ' LEU . 39.6 Cg_exo -60.65 145.58 98.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.74 2.293 . . . . 0.0 112.241 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.705 ' HE1' HD12 ' E' ' 3' ' ' ILE . 1.8 m-85 -137.06 137.28 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 9.2 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.582 HG23 ' HB ' ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.81 138.04 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . 0.683 HG12 ' HB ' ' L' ' 3' ' ' ILE . 7.9 mt -143.55 134.36 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.61 118.76 11.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.348 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 121.93 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 1.011 HD21 ' HB1' ' E' ' 5' ' ' ALA . 1.7 pp -127.65 136.11 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.609 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.505 ' C ' ' HD3' ' M' ' 9' ' ' PRO . 0.0 OUTLIER -122.86 121.99 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.0 72.34 5.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.796 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.56 ' HD2' ' HA ' ' N' ' 9' ' ' PRO . 36.0 Cg_exo -61.06 145.36 99.07 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.728 ' HE1' HD12 ' F' ' 3' ' ' ILE . 1.9 m-85 -137.19 137.45 39.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.474 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.634 HG23 ' HB ' ' O' ' 2' ' ' THR . 0.2 OUTLIER -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.166 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . 0.629 HG12 ' HB ' ' M' ' 3' ' ' ILE . 7.4 mt -143.44 133.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.205 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.906 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.52 118.73 12.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.61 125.09 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' F' ' 5' ' ' ALA . 1.8 pp -130.38 136.0 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.509 ' C ' ' HD3' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -122.96 121.97 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.48 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 57.1 m -117.27 71.98 6.56 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.629 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.602 ' HD2' ' HA ' ' O' ' 9' ' ' PRO . 39.5 Cg_exo -60.6 145.51 98.69 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.66 2.24 . . . . 0.0 112.208 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.591 ' HE1' HD12 ' G' ' 3' ' ' ILE . 1.7 m-85 -137.25 137.62 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 10.6 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 12.6 m-85 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.634 ' HB ' HG23 ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.9 137.87 35.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.286 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' P' ' 3' ' ' ILE . 7.9 mt -143.56 134.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.38 118.48 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.87 124.66 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' G' ' 5' ' ' ALA . 1.8 pp -130.55 136.1 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.594 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.55 HD11 HD22 ' P' ' 7' ' ' LEU . 0.0 OUTLIER -122.98 121.91 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.446 -179.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -116.92 71.04 5.3 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.682 ' HD2' ' HA ' ' P' ' 9' ' ' PRO . 33.9 Cg_exo -59.7 145.54 97.87 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' G' ' 3' ' ' ILE . 1.8 m-85 -137.77 137.62 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.483 ' HB3' ' OXT' ' P' ' 11' ' ' SER . 11.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.644 0.259 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.74 137.42 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.372 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . 0.761 HG12 ' HB ' ' O' ' 3' ' ' ILE . 8.2 mt -143.57 133.43 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -139.19 118.13 12.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.241 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.92 125.8 16.14 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' H' ' 5' ' ' ALA . 1.9 pp -131.21 136.28 48.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.362 . . . . 0.0 110.433 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.55 HD22 HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -121.64 122.14 38.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.54 73.09 7.91 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.682 ' HA ' ' HD2' ' O' ' 9' ' ' PRO . 27.6 Cg_exo -62.33 144.93 95.89 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.766 2.311 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' H' ' 3' ' ' ILE . 1.8 m-85 -137.9 137.93 38.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.483 ' OXT' ' HB3' ' O' ' 11' ' ' SER . 11.9 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.017 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.08 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' I' ' 8' ' ' SER . 25.6 mt -137.86 137.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 126.32 20.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.607 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 139.44 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.64 6.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.566 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 m -129.07 70.52 81.67 Favored Pre-proline 0 N--CA 1.457 -0.121 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.701 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.608 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -67.15 142.79 62.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.568 2.179 . . . . 0.0 112.213 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' I' ' 2' ' ' THR . 16.2 m-85 -132.08 140.88 49.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.449 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.87 140.52 38.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.527 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' J' ' 8' ' ' SER . 25.4 mt -137.62 137.18 45.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.91 126.27 20.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.222 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.36 139.42 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.792 179.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.782 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.8 42.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.426 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.3 m -129.38 69.8 81.44 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.753 0.311 . . . . 0.0 110.706 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.0 Cg_endo -65.86 145.38 80.22 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.19 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' J' ' 2' ' ' THR . 14.7 m-85 -133.45 139.42 46.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.543 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.693 0.282 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.36 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.434 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' K' ' 8' ' ' SER . 24.8 mt -138.05 136.98 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.02 126.27 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.299 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.545 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.15 139.56 33.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 111.856 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.24 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.827 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.782 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 120.99 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.64 0.257 . . . . 0.0 110.431 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.52 69.09 81.19 Favored Pre-proline 0 N--CA 1.456 -0.153 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.2 Cg_endo -65.21 145.33 83.91 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.545 2.163 . . . . 0.0 112.164 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.57 ' H ' HG21 ' K' ' 2' ' ' THR . 14.7 m-85 -133.26 137.91 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.57 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.17 37.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.32 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.2 mt -137.45 137.19 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.042 0.449 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.21 126.05 19.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.259 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.557 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.55 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.05 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.63 120.94 42.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.629 0.252 . . . . 0.0 110.524 179.193 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -129.53 69.5 81.4 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.1 Cg_endo -65.39 145.4 83.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.466 2.111 . . . . 0.0 111.922 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.573 ' H ' HG21 ' L' ' 2' ' ' THR . 13.6 m-85 -132.9 138.37 46.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.703 0.287 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.13 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.254 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.8 mt -137.51 137.16 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.38 20.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.864 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.45 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.812 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.95 121.02 42.64 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.452 179.241 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -129.7 69.45 81.52 Favored Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.543 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.0 Cg_endo -66.02 145.34 79.21 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.375 2.05 . . . . 0.0 112.014 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.542 ' H ' HG21 ' M' ' 2' ' ' THR . 14.1 m-85 -132.66 138.11 47.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.507 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.721 0.296 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.31 37.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' N' ' 10' ' ' TYR . 27.7 mt -137.84 136.9 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.257 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.46 20.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.254 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.41 139.09 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.873 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 102.88 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.787 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 120.99 42.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.649 0.262 . . . . 0.0 110.558 179.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -129.83 69.42 81.61 Favored Pre-proline 0 C--N 1.333 -0.113 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 37.1 Cg_endo -66.04 145.1 78.42 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.377 2.051 . . . . 0.0 111.836 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' N' ' 2' ' ' THR . 13.3 m-85 -131.48 138.15 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.059 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.689 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 5.5 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.462 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.71 0.291 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.32 37.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.335 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' O' ' 10' ' ' TYR . 35.5 mt -138.18 137.0 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.09 126.34 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.03 33.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 111.775 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.45 102.92 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.9 120.93 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.47 179.283 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -130.2 69.52 81.94 Favored Pre-proline 0 C--O 1.232 0.14 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 38.4 Cg_endo -66.76 145.19 74.4 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.429 2.086 . . . . 0.0 111.802 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' O' ' 2' ' ' THR . 13.3 m-85 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.088 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.686 0.279 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.38 37.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.285 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' P' ' 8' ' ' SER . 34.3 mt -137.66 136.32 45.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.189 0.519 . . . . 0.0 111.48 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 125.48 18.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.493 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.84 138.57 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.67 103.25 6.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.674 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.64 120.94 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.572 179.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -130.1 69.55 81.88 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 41.9 Cg_endo -66.58 143.41 68.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.34 2.026 . . . . 0.0 111.745 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.08 135.92 49.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.578 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.836 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.68 0.276 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.7 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.405 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 mt -137.38 136.62 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 111.724 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 121.7 14.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.582 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.61 139.23 38.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.081 0.467 . . . . 0.0 111.61 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 104.01 6.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.101 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.71 120.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 0.0 110.442 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.496 ' HB2' HD13 ' A' ' 3' ' ' ILE . 38.6 m -129.68 69.27 81.42 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.6 Cg_endo -66.82 145.25 74.24 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.475 2.116 . . . . 0.0 112.135 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.449 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 17.7 m-85 -130.43 141.64 50.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.72 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.781 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.442 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.62 37.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.362 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.75 137.1 45.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.462 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.54 123.99 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.349 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.48 139.36 35.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.378 . . . . 0.0 111.401 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.75 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.21 121.05 43.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.433 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.4 m -130.23 69.45 81.95 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 38.0 Cg_endo -67.2 145.37 72.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.565 2.177 . . . . 0.0 112.189 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 16.2 m-85 -131.38 141.94 49.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.72 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.57 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.383 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.14 137.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.46 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.67 122.96 15.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.399 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.72 139.44 36.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.357 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.659 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.88 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.95 43.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.609 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.447 ' HB2' HD13 ' C' ' 3' ' ' ILE . 46.1 m -129.55 69.08 81.21 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 120.686 0.279 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 37.3 Cg_endo -66.85 145.42 74.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.528 2.152 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.57 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 16.2 m-85 -131.67 141.31 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.711 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.715 0.293 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.573 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.48 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.367 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.07 137.17 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.73 16.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.339 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.65 139.33 34.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.66 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.066 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.46 120.87 43.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.565 0.221 . . . . 0.0 110.527 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.46 ' HB2' HD13 ' D' ' 3' ' ' ILE . 42.8 m -129.84 69.4 81.61 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.666 0.27 . . . . 0.0 110.804 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.8 Cg_endo -67.09 145.36 72.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.243 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 15.4 m-85 -131.52 141.16 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.679 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.659 0.266 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.542 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.73 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.41 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 mt -139.12 136.98 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.087 0.47 . . . . 0.0 111.47 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 124.0 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.14 139.46 35.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.395 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.06 6.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.97 120.83 42.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' E' ' 3' ' ' ILE . 43.9 m -129.76 68.72 81.01 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.4 Cg_endo -66.51 145.69 77.47 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.564 2.176 . . . . 0.0 112.148 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.507 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 15.8 m-85 -132.44 140.76 48.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.702 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.65 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.565 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mt -139.88 136.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.84 123.74 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.213 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.47 36.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.619 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.92 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 120.71 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.581 0.229 . . . . 0.0 110.513 179.391 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.461 ' HB2' HD13 ' F' ' 3' ' ' ILE . 46.9 m -129.96 68.68 81.16 Favored Pre-proline 0 CA--C 1.529 0.164 0 CA-C-O 120.727 0.298 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.3 Cg_endo -66.37 145.85 78.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.494 2.129 . . . . 0.0 112.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.3 m-85 -132.43 140.57 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.94 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.656 -179.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 mt -140.29 136.79 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.131 0.491 . . . . 0.0 111.6 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.78 123.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.295 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.81 139.29 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.467 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.638 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.56 7.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.38 39.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.648 0.261 . . . . 0.0 110.475 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.498 ' HB2' HD13 ' G' ' 3' ' ' ILE . 47.6 m -129.31 68.95 80.88 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.539 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.0 Cg_endo -66.49 145.59 77.27 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.536 2.157 . . . . 0.0 112.288 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.1 m-85 -132.73 140.95 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.69 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.698 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.78 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.476 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -138.96 137.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.401 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.59 16.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.33 36.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.607 0.242 . . . . 0.0 111.65 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.638 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.52 107.56 8.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.686 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.38 120.95 41.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.617 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' H' ' 3' ' ' ILE . 37.7 m -130.24 71.12 82.36 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.535 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -68.15 144.92 64.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.566 2.178 . . . . 0.0 112.225 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' H' ' 3' ' ' ILE . 17.3 m-85 -133.27 140.06 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.698 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.721 0.296 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -137.42 137.02 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.019 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.16 126.41 21.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.162 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.6 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.61 139.44 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.35 6.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.817 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -110.93 120.98 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.48 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.46 69.67 81.43 Favored Pre-proline 0 N--CA 1.456 -0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.697 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 48.5 Cg_endo -68.8 142.47 52.46 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.499 2.133 . . . . 0.0 112.173 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.569 ' N ' HG21 ' I' ' 2' ' ' THR . 16.0 m-85 -131.35 142.62 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.582 0.229 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.59 140.38 38.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.443 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 mt -137.05 137.08 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 125.67 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.188 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.73 33.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 111.828 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.06 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.871 179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.93 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -129.23 69.28 81.04 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.4 Cg_endo -67.31 145.19 71.07 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.076 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.532 ' N ' HG21 ' J' ' 2' ' ' THR . 15.0 m-85 -133.58 140.02 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.529 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.733 0.302 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.27 37.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.91 137.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.108 0.48 . . . . 0.0 111.186 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 125.84 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.204 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.4 139.56 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.868 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.17 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.835 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.78 120.93 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.16 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.57 68.6 80.63 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -66.74 145.12 74.27 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.499 2.132 . . . . 0.0 111.957 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.503 ' H ' HG21 ' K' ' 2' ' ' THR . 14.2 m-85 -133.16 139.51 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.548 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.31 37.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.394 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -137.08 137.01 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.98 125.69 19.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.22 139.58 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 111.878 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.617 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 102.97 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.817 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.5 121.03 43.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.364 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.91 68.82 81.28 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.492 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 39.7 Cg_endo -67.27 145.18 71.24 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.12 . . . . 0.0 111.902 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.525 ' H ' HG21 ' L' ' 2' ' ' THR . 14.0 m-85 -132.74 138.64 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.02 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.2 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.37 38.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 125.88 19.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.211 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.27 139.64 33.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 111.808 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.25 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.752 179.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 121.03 43.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.42 179.185 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.97 68.51 80.94 Favored Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 38.2 Cg_endo -66.64 144.95 74.32 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.479 2.119 . . . . 0.0 111.8 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.493 ' H ' HG21 ' M' ' 2' ' ' THR . 13.4 m-85 -132.52 139.19 47.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.967 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.536 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.662 0.268 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.21 37.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' N' ' 10' ' ' TYR . 30.6 mt -136.88 137.2 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.022 0.439 . . . . 0.0 111.233 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 125.84 19.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.62 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.833 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.1 6.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.771 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -112.91 120.76 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.367 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -129.92 68.31 80.62 Favored Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.3 Cg_endo -67.1 145.11 72.11 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.376 2.05 . . . . 0.0 111.859 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' N' ' 2' ' ' THR . 13.6 m-85 -131.93 138.82 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.07 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.453 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.21 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' O' ' 10' ' ' TYR . 31.9 mt -137.07 137.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.06 125.65 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.223 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.3 139.48 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.944 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.01 103.03 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.87 42.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.416 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.1 68.42 80.97 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.9 Cg_endo -67.19 145.01 71.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.414 2.076 . . . . 0.0 111.771 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.414 ' H ' HG21 ' O' ' 2' ' ' THR . 13.0 m-85 -131.56 139.03 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.201 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.26 37.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.56 136.59 48.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.155 0.502 . . . . 0.0 111.363 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 123.95 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.536 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.13 138.91 35.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.167 0.508 . . . . 0.0 111.612 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.21 6.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.69 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.16 120.91 42.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.606 0.241 . . . . 0.0 110.528 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -130.07 67.45 79.7 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 41.1 Cg_endo -66.19 143.02 69.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.295 1.996 . . . . 0.0 111.629 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -129.26 137.04 50.84 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 111.668 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.838 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.569 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.07 140.78 38.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.354 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.06 136.27 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.715 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.29 121.58 14.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.602 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.71 139.36 38.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 103.89 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.045 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.84 43.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.69 67.94 79.88 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 40.5 Cg_endo -67.29 145.37 71.81 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.56 2.173 . . . . 0.0 112.117 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 15.2 m-85 -131.25 142.8 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.829 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.432 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.777 0.322 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.532 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.11 140.64 38.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.362 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.34 136.95 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.455 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.09 16.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.38 35.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.313 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.61 103.79 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.94 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.29 120.96 43.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.371 179.385 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.96 68.41 80.81 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.273 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' K' ' 9' ' ' PRO . 42.2 Cg_endo -68.19 145.16 65.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.532 2.155 . . . . 0.0 112.117 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.529 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 14.9 m-85 -131.03 143.81 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.811 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.717 0.294 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.503 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.75 37.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -138.01 136.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.391 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 123.4 16.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.34 139.64 35.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.939 0.4 . . . . 0.0 111.308 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.63 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.963 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.03 120.72 43.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.635 0.255 . . . . 0.0 110.348 179.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -130.23 68.37 81.04 Favored Pre-proline 0 C--O 1.231 0.117 0 CA-C-O 120.75 0.309 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 42.1 Cg_endo -68.02 145.24 66.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.524 2.15 . . . . 0.0 112.15 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.548 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 15.8 m-85 -131.34 143.14 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.429 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.769 0.319 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.525 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.56 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.01 136.95 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.45 123.71 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.346 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 139.47 35.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 0.0 111.363 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.97 103.72 6.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.72 120.67 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.607 0.242 . . . . 0.0 110.48 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.84 68.04 80.18 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.726 0.298 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 39.4 Cg_endo -67.41 145.21 70.51 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.492 2.128 . . . . 0.0 112.142 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 16.1 m-85 -131.54 143.0 50.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.648 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.688 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.493 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.55 140.7 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.508 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mt -138.58 136.94 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.086 0.469 . . . . 0.0 111.457 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 123.73 16.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.136 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.97 139.51 34.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.474 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.633 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 103.65 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.023 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.38 120.86 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -130.51 68.25 81.21 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.694 0.283 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 41.2 Cg_endo -67.72 145.38 69.21 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.601 2.201 . . . . 0.0 112.179 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.536 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 16.0 m-85 -131.7 142.06 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.648 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.723 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.72 0.295 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.448 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.559 -179.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 36.1 mt -138.85 136.96 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 111.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 122.55 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.322 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.4 139.5 37.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.878 0.371 . . . . 0.0 111.449 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.592 HD13 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.81 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.74 120.63 42.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.1 67.81 80.19 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 39.0 Cg_endo -67.36 145.62 72.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.65 2.233 . . . . 0.0 112.214 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.7 m-85 -132.64 142.1 48.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.647 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.723 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.48 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.84 37.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.558 -179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -139.74 136.63 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.153 0.502 . . . . 0.0 111.617 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 123.65 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.267 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.54 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 0.0 111.391 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.595 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.71 103.88 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.96 120.63 42.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.633 0.254 . . . . 0.0 110.406 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.88 68.12 80.34 Favored Pre-proline 0 CA--C 1.528 0.12 0 CA-C-O 120.763 0.316 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 40.0 Cg_endo -67.78 145.38 68.79 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.447 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.0 m-85 -132.67 141.97 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.672 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.57 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.405 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 33.8 mt -137.65 137.53 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 123.08 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.41 139.41 35.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.626 0.251 . . . . 0.0 111.669 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.595 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 106.49 8.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.17 120.85 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.49 69.42 82.16 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 47.2 Cg_endo -68.83 145.17 61.67 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.542 2.161 . . . . 0.0 112.264 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -132.95 142.99 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.3 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 139.93 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.55 137.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 126.22 20.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.213 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.588 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.4 139.31 33.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.13 103.96 6.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.87 43.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.382 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 69.46 80.41 Favored Pre-proline 0 N--CA 1.456 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -66.91 143.61 67.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.521 2.147 . . . . 0.0 112.0 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.553 ' N ' HG21 ' I' ' 2' ' ' THR . 13.8 m-85 -131.95 142.11 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 4.4 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.048 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.432 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.768 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.13 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.351 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -136.04 137.28 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.22 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.59 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.31 6.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.757 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.77 42.5 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.35 179.121 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.95 68.54 79.75 Favored Pre-proline 0 N--CA 1.456 -0.155 0 CA-C-O 120.748 0.308 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.67 145.39 81.41 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.555 ' N ' HG21 ' J' ' 2' ' ' THR . 12.7 m-85 -132.99 139.26 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.556 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.512 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.702 0.286 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.19 37.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.384 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' K' ' 10' ' ' TYR . 25.2 mt -136.44 137.16 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 126.54 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.46 33.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.845 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.594 HD13 ' O ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 103.29 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.761 179.643 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.84 120.62 41.36 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.334 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.02 68.75 80.29 Favored Pre-proline 0 C--N 1.333 -0.122 0 CA-C-O 120.725 0.297 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.537 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 35.8 Cg_endo -65.47 145.43 82.6 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.474 2.116 . . . . 0.0 112.0 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.512 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.84 138.41 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.779 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.59 0.234 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.15 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.273 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -136.51 137.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 126.39 19.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.53 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.22 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.777 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.37 120.91 42.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.045 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.52 68.66 80.68 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.683 0.278 . . . . 0.0 110.919 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.541 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.45 145.3 82.45 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.149 . . . . 0.0 111.915 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 12.6 m-85 -132.54 137.44 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.504 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.733 0.301 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.14 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.239 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.3 mt -136.41 136.97 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.008 0.433 . . . . 0.0 111.235 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.29 19.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.25 139.35 33.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.885 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.21 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.95 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.91 42.62 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.415 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.34 68.16 79.77 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.983 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.4 Cg_endo -64.94 145.03 84.75 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.404 2.069 . . . . 0.0 111.867 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' M' ' 2' ' ' THR . 12.1 m-85 -131.72 137.96 48.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.665 0.269 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.14 37.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.226 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.449 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.2 mt -136.6 137.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 111.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.3 19.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.43 33.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.803 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.645 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 103.11 6.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.54 121.02 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.65 0.262 . . . . 0.0 110.385 179.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 68.12 80.0 Favored Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.1 144.56 82.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.403 2.068 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' N' ' 2' ' ' THR . 12.0 m-85 -130.99 137.46 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.042 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 2.8 t . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.444 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.814 0.34 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.27 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' O' ' 10' ' ' TYR . 30.3 mt -136.75 137.03 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 126.26 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.569 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.41 139.3 33.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 111.797 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 102.93 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.4 120.92 42.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.654 0.264 . . . . 0.0 110.411 179.092 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.81 68.05 80.15 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.0 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.3 Cg_endo -65.42 144.84 81.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.412 2.075 . . . . 0.0 111.766 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -130.74 137.25 49.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.201 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 2.1 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.715 0.293 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.18 37.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -135.85 136.36 50.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 111.387 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 124.24 17.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.607 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.46 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.19 138.43 35.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.045 0.45 . . . . 0.0 111.612 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 103.18 6.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.642 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.04 120.92 41.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.376 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.51 68.37 80.26 Favored Pre-proline 0 C--O 1.233 0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.479 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 39.4 Cg_endo -65.75 142.29 69.42 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.45 2.1 . . . . 0.0 111.684 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -127.65 136.89 52.23 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.787 0.327 . . . . 0.0 111.577 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.552 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 1.5 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.788 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.699 0.285 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.553 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.65 37.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.442 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -136.21 136.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.199 0.523 . . . . 0.0 111.752 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.46 122.01 15.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.679 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.47 139.02 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.471 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.04 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.07 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.61 120.69 41.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.635 0.255 . . . . 0.0 110.329 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.5 68.0 77.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.9 Cg_endo -66.21 145.32 78.02 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.479 2.119 . . . . 0.0 111.956 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.432 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.8 m-85 -131.09 141.52 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.616 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 1.6 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.849 0.357 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.555 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.54 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.387 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -136.61 137.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.47 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.48 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.398 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.34 36.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.283 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 103.75 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.047 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.98 120.79 43.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.457 179.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 68.09 78.72 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-O 120.666 0.27 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.526 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.7 Cg_endo -66.89 144.6 71.35 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.512 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.8 m-85 -130.16 142.57 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.617 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.512 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.55 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.414 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 37.6 mt -137.19 136.91 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.469 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 123.57 16.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.323 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.86 139.37 36.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.25 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.666 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.81 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.03 120.65 42.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 179.365 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.2 68.18 79.64 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.658 0.266 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 38.0 Cg_endo -66.63 145.37 75.71 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.396 2.064 . . . . 0.0 112.239 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 13.4 m-85 -131.19 141.66 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.5 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.75 0.309 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.29 140.67 37.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.383 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -137.2 137.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.71 123.26 16.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.35 36.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 111.25 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 104.27 6.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.65 120.73 42.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.416 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.5 67.99 79.71 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.733 0.302 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 38.0 Cg_endo -66.64 145.31 75.51 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.481 2.121 . . . . 0.0 112.091 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 13.0 m-85 -130.91 142.39 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.653 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 2.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.583 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.46 140.67 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.435 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 mt -137.7 137.16 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.039 0.447 . . . . 0.0 111.467 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.47 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.351 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.93 139.24 36.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 111.42 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.628 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.97 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.37 120.69 42.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.393 179.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.6 68.46 80.48 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 37.7 Cg_endo -67.02 145.19 72.81 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.408 2.072 . . . . 0.0 112.196 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.2 m-85 -130.96 141.38 50.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.583 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.496 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.1 137.02 44.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.103 0.478 . . . . 0.0 111.462 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.79 122.6 15.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.84 139.41 38.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.375 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.01 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.04 120.64 42.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.422 179.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 67.68 79.32 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.707 0.289 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.66 145.61 82.0 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.542 2.161 . . . . 0.0 112.188 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.449 ' CE1' HD11 ' F' ' 3' ' ' ILE . 13.3 m-85 -131.66 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.649 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.575 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.821 0.343 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.54 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.583 -179.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . 0.437 ' HB ' HG12 ' P' ' 3' ' ' ILE . 41.2 mt -138.12 137.05 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 111.504 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.93 122.89 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.311 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 139.39 37.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.656 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.85 7.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.51 40.38 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.311 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.31 67.8 79.21 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.8 Cg_endo -65.96 145.75 80.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.081 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' G' ' 3' ' ' ILE . 13.7 m-85 -132.37 141.15 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.646 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.61 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.34 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB ' ' O' ' 3' ' ' ILE . 36.3 mt -137.66 137.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.368 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.24 123.17 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.38 36.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.525 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.656 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 109.12 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.683 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.54 120.62 39.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.412 179.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 69.85 81.74 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.857 0.36 . . . . 0.0 111.016 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.3 Cg_endo -67.41 145.18 70.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.583 2.188 . . . . 0.0 112.078 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -132.9 140.42 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 4.2 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.35 37.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' I' ' 8' ' ' SER . 23.3 mt -138.15 137.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.85 128.08 22.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.605 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.18 139.41 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.6 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 179.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.449 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -128.81 69.41 80.17 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.9 Cg_endo -66.95 143.2 65.24 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.055 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.574 ' N ' HG21 ' I' ' 2' ' ' THR . 13.6 m-85 -132.29 142.64 49.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.698 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.523 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.41 37.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.356 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' J' ' 8' ' ' SER . 19.5 mt -137.59 137.2 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 128.04 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.34 139.23 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.825 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.72 103.0 5.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.86 179.442 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.763 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.14 120.71 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -128.9 68.61 79.66 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.576 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.9 Cg_endo -65.18 145.42 84.27 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.346 2.03 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' J' ' 2' ' ' THR . 12.4 m-85 -133.53 139.18 46.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.11 37.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.501 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' K' ' 8' ' ' SER . 21.5 mt -137.48 137.14 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.67 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.894 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.09 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.765 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.15 120.72 42.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.23 68.78 80.55 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.681 0.277 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.2 Cg_endo -65.86 145.45 80.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.413 2.075 . . . . 0.0 112.083 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.555 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.89 138.73 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.35 37.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.325 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' L' ' 8' ' ' SER . 23.0 mt -137.7 137.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.05 127.76 21.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.25 139.26 33.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.811 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.01 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.895 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.87 42.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.26 68.56 80.26 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 33.8 Cg_endo -65.21 145.21 83.6 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.41 2.073 . . . . 0.0 111.976 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' L' ' 2' ' ' THR . 12.2 m-85 -132.6 138.78 47.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.23 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' M' ' 8' ' ' SER . 26.9 mt -137.52 137.17 45.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 127.81 21.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.291 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.574 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 111.834 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.6 103.02 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 121.26 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.79 68.41 80.62 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.8 Cg_endo -65.16 145.26 84.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.391 2.061 . . . . 0.0 111.865 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.546 ' H ' HG21 ' M' ' 2' ' ' THR . 11.7 m-85 -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.95 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.496 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.34 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.307 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' N' ' 8' ' ' SER . 27.6 mt -137.5 137.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.17 127.6 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.356 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.37 139.39 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.844 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.48 103.16 6.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.857 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.39 121.21 43.66 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.451 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -129.85 67.92 80.03 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.741 0.305 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.32 144.76 81.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.408 2.072 . . . . 0.0 111.771 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' N' ' 2' ' ' THR . 11.3 m-85 -131.57 139.07 49.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.494 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.661 0.267 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.23 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.338 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' O' ' 8' ' ' SER . 29.5 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.247 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 127.53 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.282 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.33 139.4 33.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.4 . . . . 0.0 111.729 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.29 102.99 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.864 179.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.32 120.84 42.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.43 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.9 68.27 80.55 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.8 Cg_endo -66.12 144.49 75.67 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.393 2.062 . . . . 0.0 111.51 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -130.42 139.05 50.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.193 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.421 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.757 0.313 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.47 37.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.337 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' P' ' 8' ' ' SER . 33.9 mt -137.67 136.63 45.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.25 0.548 . . . . 0.0 111.43 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 126.93 20.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.583 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.93 138.53 33.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.626 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.83 103.37 6.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.76 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.28 121.14 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.533 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.95 67.71 79.88 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.9 Cg_endo -65.18 143.12 76.6 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.339 2.026 . . . . 0.0 111.56 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -128.83 136.98 51.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.36 . . . . 0.0 111.576 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.815 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.736 0.303 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.574 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.75 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.49 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.02 136.71 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.089 0.471 . . . . 0.0 111.635 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.86 16.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.626 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.8 138.99 38.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.539 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 104.91 7.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.144 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.06 120.79 41.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.52 0.2 . . . . 0.0 110.493 179.314 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.539 ' HB2' HD13 ' A' ' 3' ' ' ILE . 5.4 m -129.0 68.48 79.87 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.618 0.246 . . . . 0.0 111.002 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.27 145.17 77.25 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.048 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 12.7 m-85 -130.86 142.91 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.66 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.358 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -137.7 137.12 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 125.09 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.275 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.41 36.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.926 0.393 . . . . 0.0 111.265 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.92 103.89 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.78 120.92 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.44 179.299 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.523 ' HB2' HD13 ' B' ' 3' ' ' ILE . 5.0 m -129.51 68.09 79.86 Favored Pre-proline 0 C--O 1.232 0.155 0 CA-C-O 120.704 0.288 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.576 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 38.8 Cg_endo -67.12 145.24 72.37 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.48 2.12 . . . . 0.0 112.173 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 12.8 m-85 -131.22 144.02 51.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.024 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.789 0.328 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.555 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.56 37.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -138.02 136.87 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.332 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.38 125.92 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.92 139.19 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.335 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.87 6.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.081 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.92 43.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.455 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' C' ' 3' ' ' ILE . 4.3 m -129.6 68.43 80.43 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 38.1 Cg_endo -67.19 145.35 72.35 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.496 2.131 . . . . 0.0 112.048 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.7 m-85 -131.47 142.76 50.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.76 37.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.421 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mt -138.55 136.9 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.58 124.94 17.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.283 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.34 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.97 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.951 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.26 120.75 42.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.612 0.244 . . . . 0.0 110.51 179.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.506 ' HB2' HD13 ' D' ' 3' ' ' ILE . 5.2 m -129.34 67.89 79.4 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-O 120.647 0.261 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.545 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.6 Cg_endo -66.55 145.55 76.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.179 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.2 m-85 -131.81 142.64 49.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.546 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.52 140.76 37.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -139.15 136.89 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.086 0.469 . . . . 0.0 111.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.63 125.14 17.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.241 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.25 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.356 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.25 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.8 42.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' E' ' 3' ' ' ILE . 4.7 m -129.91 67.88 80.05 Favored Pre-proline 0 CA--C 1.528 0.113 0 CA-C-O 120.765 0.317 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.6 Cg_endo -66.02 145.62 80.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.546 2.164 . . . . 0.0 112.14 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.504 ' CE1' HD11 ' E' ' 3' ' ' ILE . 12.4 m-85 -131.5 142.86 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.555 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.78 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.603 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.87 136.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.499 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.464 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.76 124.66 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 139.74 36.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.496 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.609 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.91 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.129 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.62 120.76 42.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.536 ' HB2' HD13 ' F' ' 3' ' ' ILE . 4.8 m -129.87 68.12 80.32 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-O 120.679 0.276 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -66.22 145.86 79.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.612 2.208 . . . . 0.0 112.202 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.494 ' CE1' HD11 ' F' ' 3' ' ' ILE . 12.7 m-85 -132.4 142.02 49.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.76 0.314 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.38 140.94 37.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.539 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.1 136.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 111.538 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 125.18 17.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.363 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.4 36.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.393 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.635 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 105.12 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.056 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.87 120.77 41.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.436 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.543 ' HB2' HD13 ' G' ' 3' ' ' ILE . 4.5 m -129.57 67.74 79.44 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 145.57 81.19 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.508 2.139 . . . . 0.0 112.174 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' G' ' 3' ' ' ILE . 12.6 m-85 -132.57 142.51 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.61 37.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.17 137.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.32 124.12 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.24 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.37 139.37 37.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.657 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.635 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.78 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.59 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.699 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.21 120.99 41.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.485 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' H' ' 3' ' ' ILE . 4.9 m -130.61 70.25 82.4 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.052 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.61 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 43.1 Cg_endo -68.07 145.05 65.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.581 2.187 . . . . 0.0 112.144 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.8 m-85 -132.81 142.26 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.951 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.1 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.401 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' I' ' 8' ' ' SER . 28.1 mt -138.35 137.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.84 126.61 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.15 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.43 139.48 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.85 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.29 120.88 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.543 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -129.13 69.24 80.92 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-O 120.828 0.347 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 40.0 Cg_endo -67.44 142.31 59.11 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.512 2.142 . . . . 0.0 112.155 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' N ' HG21 ' I' ' 2' ' ' THR . 13.3 m-85 -132.46 142.08 49.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 1.3 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.525 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.646 0.26 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.29 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.541 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' J' ' 8' ' ' SER . 21.7 mt -138.16 136.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.82 126.54 20.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.58 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.37 139.42 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 0.0 111.863 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.36 103.14 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.804 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.6 41.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.45 179.203 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -129.42 68.78 80.74 Favored Pre-proline 0 C--O 1.232 0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.2 Cg_endo -66.3 145.23 77.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.535 2.157 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 12.9 m-85 -134.26 138.87 45.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.748 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 1.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.755 0.312 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.358 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' K' ' 8' ' ' SER . 25.8 mt -137.87 137.15 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.64 20.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.301 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.572 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.51 139.57 33.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.961 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.38 102.97 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.797 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.18 121.03 43.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 179.058 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -129.8 68.61 80.9 Favored Pre-proline 0 C--O 1.231 0.123 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.87 145.26 79.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.15 . . . . 0.0 112.06 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.557 ' H ' HG21 ' K' ' 2' ' ' THR . 12.5 m-85 -134.3 138.86 45.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.552 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.776 0.322 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.15 37.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.467 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' L' ' 8' ' ' SER . 28.8 mt -138.29 136.54 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.49 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.234 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.44 139.51 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.951 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 103.12 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.815 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.25 120.94 42.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.447 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -129.5 68.35 80.23 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 144.73 78.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.382 2.054 . . . . 0.0 111.868 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.52 ' H ' HG21 ' L' ' 2' ' ' THR . 11.9 m-85 -133.32 138.78 46.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.12 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.305 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' M' ' 8' ' ' SER . 31.3 mt -138.32 136.72 44.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 126.67 20.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.232 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.5 139.42 33.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.92 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.79 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.836 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.83 42.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.66 0.267 . . . . 0.0 110.488 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.56 68.37 80.32 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.7 Cg_endo -65.99 144.58 76.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.342 2.028 . . . . 0.0 111.951 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.508 ' H ' HG21 ' M' ' 2' ' ' THR . 12.0 m-85 -132.9 138.92 47.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.986 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.81 140.23 38.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.419 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' N' ' 8' ' ' SER . 31.8 mt -138.62 136.62 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.479 . . . . 0.0 111.238 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.68 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.19 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 0.0 111.816 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.14 103.02 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.724 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.99 42.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.651 0.262 . . . . 0.0 110.399 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.07 67.79 80.14 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.971 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.495 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 36.9 Cg_endo -65.55 144.85 80.53 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.385 2.056 . . . . 0.0 111.766 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.462 ' H ' HG21 ' N' ' 2' ' ' THR . 11.8 m-85 -132.67 138.91 47.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.938 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 18.5 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.37 37.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.363 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' O' ' 8' ' ' SER . 32.2 mt -138.48 136.78 43.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.247 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.59 20.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.35 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.58 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.29 139.5 33.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 111.884 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 102.99 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.784 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.84 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.397 179.18 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.32 67.87 80.53 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.515 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.2 Cg_endo -66.37 145.01 76.13 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.349 2.032 . . . . 0.0 111.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.428 ' H ' HG21 ' O' ' 2' ' ' THR . 11.8 m-85 -132.21 138.57 48.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.242 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.472 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.29 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' P' ' 8' ' ' SER . 35.2 mt -138.42 136.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.221 0.534 . . . . 0.0 111.336 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 125.11 18.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.506 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.31 138.79 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.145 0.498 . . . . 0.0 111.707 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.57 103.22 6.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.682 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.665 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.35 120.98 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.469 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.14 67.11 79.35 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.8 Cg_endo -65.39 142.54 72.83 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.404 2.07 . . . . 0.0 111.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -129.18 138.79 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.812 0.339 . . . . 0.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.896 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.562 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.72 37.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.79 136.42 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.256 0.551 . . . . 0.0 111.618 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 122.03 15.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.635 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.04 139.01 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.0 111.547 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.75 6.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.86 42.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.646 0.26 . . . . 0.0 110.381 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 3' ' ' ILE . 4.0 m -130.0 67.88 80.15 Favored Pre-proline 0 CA--C 1.528 0.101 0 CA-C-O 120.718 0.294 . . . . 0.0 110.982 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.49 145.2 76.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.496 2.131 . . . . 0.0 112.164 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.5 m-85 -131.55 142.07 49.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.829 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.726 0.298 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.66 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.442 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.3 136.73 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.331 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.8 16.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.455 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.5 139.3 35.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.285 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.91 103.57 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -111.83 120.72 42.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.367 179.501 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.492 ' HB2' HD13 ' B' ' 3' ' ' ILE . 4.3 m -129.58 67.98 79.79 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.66 0.267 . . . . 0.0 110.787 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 37.3 Cg_endo -66.69 145.21 74.87 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.48 2.12 . . . . 0.0 112.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.0 m-85 -132.12 142.64 49.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.525 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.764 0.316 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.557 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.62 37.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.63 136.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.339 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 123.79 16.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.56 139.5 35.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.903 0.382 . . . . 0.0 111.358 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.76 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.89 43.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.47 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.497 ' HB2' HD13 ' C' ' 3' ' ' ILE . 3.7 m -129.96 67.36 79.44 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 36.7 Cg_endo -65.84 145.58 80.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.569 2.179 . . . . 0.0 112.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.552 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.6 m-85 -132.69 141.15 48.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.437 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.533 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.666 0.269 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.52 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.67 37.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.403 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -139.12 136.84 42.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.403 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 123.97 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.202 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.47 139.51 35.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 111.408 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 103.93 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.3 120.81 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.517 ' HB2' HD13 ' D' ' 3' ' ' ILE . 3.4 m -130.28 67.78 80.37 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-O 120.677 0.275 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 37.2 Cg_endo -66.29 145.63 78.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.9 m-85 -132.88 141.69 48.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.722 0.296 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.508 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.44 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.583 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -139.47 136.82 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 0.0 111.397 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.79 123.65 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.326 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 139.51 36.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.492 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.12 103.83 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.59 120.9 43.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.516 ' HB2' HD13 ' E' ' 3' ' ' ILE . 3.7 m -130.21 67.66 80.13 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.707 0.289 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.3 Cg_endo -66.08 145.71 79.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.493 2.129 . . . . 0.0 112.152 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.1 m-85 -133.14 141.14 47.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' N' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.695 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.723 0.296 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.462 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.62 140.57 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.546 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.13 136.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.062 0.458 . . . . 0.0 111.406 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.88 123.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.282 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.31 139.42 35.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 0.0 111.499 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.23 104.08 6.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.71 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' F' ' 3' ' ' ILE . 3.1 m -130.22 67.44 79.86 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.676 0.274 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 36.3 Cg_endo -65.76 145.56 81.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.519 2.146 . . . . 0.0 112.265 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 13.4 m-85 -133.4 140.76 47.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.798 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.008 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.762 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.88 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.714 -179.319 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -140.84 136.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.622 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.59 124.13 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 139.34 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.535 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.96 6.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.96 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.02 120.51 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.415 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.522 ' HB2' HD13 ' G' ' 3' ' ' ILE . 3.2 m -129.68 67.54 79.31 Favored Pre-proline 0 CA--C 1.528 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.599 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 35.7 Cg_endo -65.66 145.73 82.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.225 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.472 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 13.6 m-85 -134.12 141.27 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.508 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.64 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.779 0.323 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.7 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.381 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.91 137.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.246 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.4 16.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.57 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 111.695 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.623 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.07 8.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.814 179.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.661 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.397 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' H' ' 3' ' ' ILE . 3.3 m -130.56 69.93 82.31 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.599 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.5 Cg_endo -68.18 145.11 65.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.575 2.183 . . . . 0.0 112.253 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -134.27 141.16 46.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.79 140.13 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 mt -139.0 137.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.74 126.33 20.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.604 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.29 139.2 33.61 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.62 103.42 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.24 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.67 120.91 43.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 110.591 179.358 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -129.33 70.42 81.75 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 41.5 Cg_endo -68.0 143.71 61.22 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.516 2.144 . . . . 0.0 112.085 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' I' ' 2' ' ' THR . 18.5 m-85 -131.74 140.67 49.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.419 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.688 0.28 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.98 140.27 38.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 mt -138.47 136.9 43.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.052 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.83 125.57 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -140.73 139.41 34.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 111.917 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.51 103.3 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.792 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.8 42.02 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.403 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.05 70.12 81.41 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.3 Cg_endo -66.86 145.46 74.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.44 2.093 . . . . 0.0 112.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.554 ' N ' HG21 ' J' ' 2' ' ' THR . 17.0 m-85 -132.96 140.11 47.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.609 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.692 0.282 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.3 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' K' ' 10' ' ' TYR . 20.0 mt -138.87 136.86 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.473 . . . . 0.0 111.152 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.58 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.287 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.36 139.22 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 111.817 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.597 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.752 179.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.67 120.75 41.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.454 179.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -128.99 69.9 81.2 Favored Pre-proline 0 C--N 1.333 -0.145 0 CA-C-O 120.737 0.303 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.89 145.16 73.48 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.424 2.083 . . . . 0.0 112.1 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.533 ' H ' HG21 ' K' ' 2' ' ' THR . 17.1 m-85 -132.29 139.19 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.14 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' L' ' 10' ' ' TYR . 20.6 mt -138.76 136.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 126.28 20.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.245 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.54 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.26 139.28 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.25 6.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -114.03 120.77 41.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.442 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -129.22 69.55 81.18 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.5 Cg_endo -66.4 145.28 76.79 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' L' ' 2' ' ' THR . 16.8 m-85 -132.53 137.12 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.917 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.557 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.649 0.261 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.19 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.404 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.486 HD11 ' HE1' ' M' ' 10' ' ' TYR . 22.2 mt -138.65 136.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 126.07 19.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.231 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.53 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.33 139.41 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 111.891 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.46 103.02 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.851 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.6 120.87 42.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.607 0.241 . . . . 0.0 110.444 179.089 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 13.8 m -129.62 69.94 81.68 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 38.6 Cg_endo -67.14 145.1 71.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.43 2.086 . . . . 0.0 111.931 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.547 ' H ' HG21 ' M' ' 2' ' ' THR . 16.0 m-85 -131.59 137.31 48.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.599 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.557 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.767 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.28 37.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.378 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' N' ' 10' ' ' TYR . 24.6 mt -138.96 136.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 126.3 19.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.211 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.4 139.22 33.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.718 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.644 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.89 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.805 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 120.91 42.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.631 0.253 . . . . 0.0 110.487 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -129.81 69.78 81.74 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.514 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.4 Cg_endo -67.0 145.1 72.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.379 2.053 . . . . 0.0 111.913 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' N' ' 2' ' ' THR . 15.2 m-85 -131.26 137.95 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 3.9 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.492 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.56 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.365 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.3 mt -138.91 136.87 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.13 19.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.266 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.568 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.36 139.15 33.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 111.863 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.56 102.9 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.796 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.82 121.02 42.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -129.99 69.57 81.8 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.49 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 41.8 Cg_endo -67.52 143.35 62.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.381 2.054 . . . . 0.0 111.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -128.79 138.48 52.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.652 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.32 38.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' P' ' 10' ' ' TYR . 29.0 mt -138.74 135.96 43.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.207 0.527 . . . . 0.0 111.464 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 124.76 18.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.611 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.41 138.21 34.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.635 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.07 6.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.691 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.5 121.06 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 0.0 110.431 179.259 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -129.76 69.29 81.5 Favored Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.2 Cg_endo -67.06 143.61 66.24 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.327 2.018 . . . . 0.0 111.748 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -128.6 137.28 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . 0.634 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.826 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.1 140.74 38.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.396 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 mt -138.85 136.15 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.155 0.503 . . . . 0.0 111.593 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 121.25 14.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.632 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.0 139.05 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.036 0.446 . . . . 0.0 111.525 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.91 6.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.061 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.65 120.82 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.231 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -129.15 68.9 80.65 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 39.3 Cg_endo -67.26 145.02 70.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.561 2.174 . . . . 0.0 112.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.419 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.4 m-85 -129.99 142.34 50.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.135 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.699 0.285 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.554 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.84 37.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.457 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 mt -139.2 136.68 41.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.486 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.59 123.41 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.44 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.08 35.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 111.377 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.95 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.71 120.9 43.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.405 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -129.61 69.35 81.39 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 40.9 Cg_endo -67.96 145.34 67.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.481 2.121 . . . . 0.0 112.153 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 17.6 m-85 -130.58 143.0 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.695 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.805 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.4 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.533 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.38 140.68 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.423 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.44 136.73 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.52 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.275 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.29 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.344 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 103.53 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.97 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.05 120.69 42.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.39 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -129.91 69.38 81.66 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -68.17 145.33 66.24 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.525 2.15 . . . . 0.0 112.185 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 17.7 m-85 -130.41 142.73 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.657 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.711 0.291 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.46 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.422 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.56 136.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.73 123.57 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.368 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.33 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 111.261 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.9 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.916 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.92 120.51 41.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.227 . . . . 0.0 110.5 179.377 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 11.9 m -129.13 68.87 80.59 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.708 0.29 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.547 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 39.0 Cg_endo -67.53 145.49 70.77 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.533 2.155 . . . . 0.0 112.224 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' D' ' 3' ' ' ILE . 17.8 m-85 -131.08 142.12 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.657 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.547 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.457 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mt -139.84 136.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.357 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.365 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.54 139.24 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.403 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.61 HD13 ' O ' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.93 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.84 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.449 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m -129.6 68.58 80.64 Favored Pre-proline 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.566 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 38.0 Cg_endo -67.22 145.56 72.9 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.674 2.25 . . . . 0.0 112.211 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -131.32 142.29 50.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.712 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.718 0.294 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.62 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.589 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.59 136.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.348 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.64 123.23 16.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.218 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.41 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.538 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.631 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 104.25 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.978 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.96 120.7 41.54 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.426 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.95 68.91 81.44 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.566 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 37.8 Cg_endo -66.98 145.82 75.26 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.664 2.242 . . . . 0.0 112.228 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.492 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 17.8 m-85 -131.78 141.12 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.712 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.61 140.93 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -141.01 136.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.8 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.275 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 139.29 37.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.644 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.71 6.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.5 120.53 40.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.442 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -129.68 68.88 81.13 Favored Pre-proline 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.323 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.548 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.6 Cg_endo -66.92 146.02 76.28 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.194 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' G' ' 3' ' ' ILE . 17.7 m-85 -132.29 141.59 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.634 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.331 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.69 37.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -140.01 137.37 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.373 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.48 122.74 15.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.95 139.04 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.536 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.644 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.74 107.87 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.17 120.67 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.489 179.598 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -129.73 70.94 82.19 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.0 Cg_endo -69.0 145.24 60.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.562 2.175 . . . . 0.0 112.187 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.545 ' CE1' HD11 ' H' ' 3' ' ' ILE . 18.8 m-85 -132.87 141.14 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.677 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.11 37.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' I' ' 8' ' ' SER . 21.8 mt -138.39 137.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.17 128.37 23.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.601 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 138.89 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.7 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.889 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.61 120.95 43.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.629 0.252 . . . . 0.0 110.614 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -128.61 69.8 79.72 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.715 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.647 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.69 141.62 60.73 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.179 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' N ' HG21 ' I' ' 2' ' ' THR . 11.2 m-85 -132.35 141.9 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.745 0.307 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.39 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.518 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' J' ' 8' ' ' SER . 24.7 mt -138.29 137.21 44.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.6 127.89 22.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.307 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 139.13 33.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.821 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.597 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.75 103.48 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.833 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.72 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.385 179.121 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -128.87 69.1 80.21 Favored Pre-proline 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.66 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.647 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.2 Cg_endo -65.37 145.07 82.34 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.517 2.144 . . . . 0.0 112.037 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' J' ' 2' ' ' THR . 10.6 m-85 -134.8 141.55 46.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.555 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.14 37.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' K' ' 8' ' ' SER . 26.1 mt -137.96 137.23 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.055 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 128.13 22.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.326 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.37 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.951 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.28 6.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.856 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.02 120.71 41.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.434 179.108 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -129.09 68.9 80.59 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 32.8 Cg_endo -64.5 145.36 87.45 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.511 2.14 . . . . 0.0 112.021 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.54 ' H ' HG21 ' K' ' 2' ' ' THR . 10.1 m-85 -134.76 139.5 45.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.648 0.261 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.88 140.41 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.495 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.7 mt -138.25 137.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.89 128.47 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.581 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.28 138.84 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.857 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.42 6.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.887 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -114.35 120.82 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 110.44 179.143 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.3 68.98 80.91 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -65.37 145.29 82.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.397 2.065 . . . . 0.0 112.056 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.571 ' H ' HG21 ' L' ' 2' ' ' THR . 10.5 m-85 -134.39 138.37 44.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.904 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.49 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.745 0.307 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.06 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.316 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' M' ' 8' ' ' SER . 28.5 mt -138.05 137.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 128.17 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.431 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.16 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 111.907 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.47 103.63 6.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.3 120.81 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.49 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -129.34 68.59 80.39 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.2 Cg_endo -64.95 145.23 85.15 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.52 2.146 . . . . 0.0 111.878 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.523 ' H ' HG21 ' M' ' 2' ' ' THR . 10.1 m-85 -134.19 138.87 45.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.735 0.303 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.21 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.278 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' N' ' 10' ' ' TYR . 29.0 mt -138.25 137.17 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 127.9 21.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.556 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.35 139.21 33.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.385 . . . . 0.0 111.852 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.61 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.31 6.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.912 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.781 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.8 120.92 42.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.493 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -129.64 68.56 80.65 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 36.7 Cg_endo -65.21 145.18 83.54 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.443 2.095 . . . . 0.0 111.784 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' N' ' 2' ' ' THR . 9.5 m-85 -133.34 138.76 46.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.792 0.329 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.19 37.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.6 mt -137.98 137.05 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 127.73 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.573 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 138.94 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.007 0.432 . . . . 0.0 111.695 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.77 103.12 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.027 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.93 120.97 42.52 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.474 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 46.5 m -129.66 68.73 80.92 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.758 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.92 145.04 78.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.363 2.042 . . . . 0.0 111.865 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.454 ' H ' HG21 ' O' ' 2' ' ' THR . 9.8 m-85 -132.83 136.9 46.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.178 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.827 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.38 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.398 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' P' ' 8' ' ' SER . 39.2 mt -137.5 136.58 46.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.147 0.499 . . . . 0.0 111.362 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.58 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.646 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.541 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -139.84 137.6 35.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.147 0.498 . . . . 0.0 111.615 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.72 103.23 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.718 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.66 120.99 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.543 179.263 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 46.4 m -129.62 68.17 80.1 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.494 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.7 Cg_endo -65.23 142.57 74.03 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.425 2.083 . . . . 0.0 111.653 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -129.94 137.18 50.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.88 0.371 . . . . 0.0 111.502 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.89 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.752 0.311 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.558 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.7 37.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.429 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.79 136.75 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 111.625 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.96 16.02 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.651 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.1 138.83 39.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.568 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.635 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.9 105.45 7.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.121 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.98 120.89 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.646 0.26 . . . . 0.0 110.457 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . 51.0 m -129.0 68.19 79.44 Favored Pre-proline 0 C--O 1.231 0.125 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.3 Cg_endo -65.72 145.13 80.39 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.481 2.12 . . . . 0.0 112.067 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 10.3 m-85 -132.12 142.17 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.724 0.297 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.54 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -138.41 137.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.418 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 124.71 17.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.426 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.16 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 111.308 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 104.46 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.181 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -113.13 120.98 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.487 179.4 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.0 m -129.75 68.35 80.49 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 36.5 Cg_endo -65.7 145.38 81.17 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.559 2.173 . . . . 0.0 112.176 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 10.8 m-85 -133.04 141.99 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.468 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.54 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.37 137.09 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 125.1 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.9 139.32 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 111.448 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.39 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.041 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.05 120.66 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.611 0.243 . . . . 0.0 110.474 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' C' ' 3' ' ' ILE . 48.9 m -129.62 68.24 80.2 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 37.2 Cg_endo -66.01 145.49 79.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.559 2.173 . . . . 0.0 112.172 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 10.1 m-85 -133.16 142.35 48.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.818 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.468 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.7 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.735 0.302 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.571 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.51 37.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.419 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.88 137.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 111.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.55 125.9 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.27 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 104.57 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.58 41.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.599 0.238 . . . . 0.0 110.43 179.269 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . 0.495 ' HB2' HD13 ' D' ' 3' ' ' ILE . 49.8 m -129.66 68.27 80.28 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.7 Cg_endo -65.96 145.66 80.47 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.534 2.156 . . . . 0.0 112.312 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 10.7 m-85 -133.43 141.99 48.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.496 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.523 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.35 140.72 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.491 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -139.9 137.06 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.66 125.91 18.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.392 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.24 35.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.458 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 104.53 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.62 41.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.569 0.223 . . . . 0.0 110.436 179.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' E' ' 3' ' ' ILE . 48.9 m -129.62 68.26 80.22 Favored Pre-proline 0 CA--C 1.528 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.2 Cg_endo -65.8 145.37 80.59 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.151 . . . . 0.0 112.229 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 10.7 m-85 -133.76 141.14 47.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.584 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.75 37.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.53 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -140.24 137.12 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.405 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.62 125.63 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.35 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.8 139.26 36.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 111.498 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.59 104.34 6.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.74 120.64 41.51 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.457 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . 0.468 ' HB2' HD13 ' F' ' 3' ' ' ILE . 44.2 m -129.78 68.08 80.16 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.6 Cg_endo -65.73 145.61 81.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.555 2.17 . . . . 0.0 112.289 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.0 m-85 -133.73 141.43 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.584 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.52 140.75 37.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.647 -179.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -140.32 136.99 37.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.319 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.74 124.73 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.378 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.29 139.05 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.442 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 106.54 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -115.96 120.43 39.14 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.528 179.364 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' G' ' 3' ' ' ILE . 38.4 m -128.83 67.87 78.24 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.5 Cg_endo -65.36 145.68 83.85 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.581 2.187 . . . . 0.0 112.204 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.0 m-85 -134.47 142.01 46.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.696 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.423 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.59 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.452 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt -138.97 137.58 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.28 125.09 18.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.454 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.32 139.16 35.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.616 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.625 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.95 108.08 9.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.726 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.03 120.72 40.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.546 179.465 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.485 ' HB2' HD13 ' H' ' 3' ' ' ILE . 49.8 m -130.01 70.51 82.14 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.8 Cg_endo -67.53 144.68 67.81 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.515 2.143 . . . . 0.0 112.335 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' H' ' 3' ' ' ILE . 12.3 m-85 -134.32 141.26 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.54 37.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.5 mt -138.53 137.35 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.26 126.48 21.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.306 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.42 139.57 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.67 6.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.697 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.83 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.55 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -129.02 70.85 81.86 Favored Pre-proline 0 N--CA 1.456 -0.138 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.3 Cg_endo -68.19 144.31 62.41 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.591 2.194 . . . . 0.0 112.127 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.598 ' N ' HG21 ' I' ' 2' ' ' THR . 19.7 m-85 -134.0 142.0 47.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.568 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.729 0.3 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.28 37.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.546 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mt -137.9 137.45 44.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.05 19.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.241 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.516 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 140.09 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 111.889 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 103.23 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.646 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.7 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.475 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -128.75 70.08 80.45 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.81 145.21 74.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.425 2.083 . . . . 0.0 112.146 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 17.4 m-85 -133.88 139.91 46.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.027 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.44 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt -137.72 137.3 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.75 126.22 20.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.79 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 111.944 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.2 120.93 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.118 -0.233 . . . . 0.0 110.469 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -129.33 69.91 81.47 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -66.98 145.2 73.11 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.539 ' H ' HG21 ' K' ' 2' ' ' THR . 17.6 m-85 -133.45 139.01 46.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.592 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.746 0.307 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.11 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.337 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 mt -137.68 137.33 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 125.98 19.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.271 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.32 139.68 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.602 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.11 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.728 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.07 120.85 42.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.562 0.22 . . . . 0.0 110.541 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.36 69.88 81.47 Favored Pre-proline 0 C--O 1.231 0.105 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.79 145.46 75.1 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.15 . . . . 0.0 112.116 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.609 ' H ' HG21 ' L' ' 2' ' ' THR . 16.4 m-85 -133.22 137.6 46.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.952 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.661 0.267 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.48 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.377 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' M' ' 10' ' ' TYR . 34.0 mt -138.04 137.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.68 126.18 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.546 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.55 33.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 111.927 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.602 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.16 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.677 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.93 42.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.559 0.219 . . . . 0.0 110.541 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -129.32 69.81 81.4 Favored Pre-proline 0 N--CA 1.456 -0.165 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.99 145.25 73.22 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 111.95 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.544 ' H ' HG21 ' M' ' 2' ' ' THR . 16.9 m-85 -132.89 138.89 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.521 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.39 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.372 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' N' ' 10' ' ' TYR . 35.8 mt -138.08 137.41 44.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 126.12 19.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.252 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.56 139.64 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.911 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.37 103.01 5.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.785 179.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 121.05 43.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.635 0.255 . . . . 0.0 110.436 179.194 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -129.79 69.42 81.58 Favored Pre-proline 0 N--CA 1.457 -0.113 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.965 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 38.5 Cg_endo -66.69 145.39 75.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.509 2.139 . . . . 0.0 111.903 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.505 ' H ' HG21 ' N' ' 2' ' ' THR . 16.0 m-85 -132.55 138.12 47.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.035 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.5 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.762 0.315 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.33 37.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.462 HD11 ' HE1' ' O' ' 10' ' ' TYR . 42.6 mt -137.78 137.31 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 126.02 19.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.544 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 139.57 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.834 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 102.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.7 179.428 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.85 42.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.678 0.275 . . . . 0.0 110.447 179.338 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -129.71 69.85 81.7 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.2 Cg_endo -67.55 145.23 69.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.377 2.051 . . . . 0.0 111.735 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.426 ' H ' HG21 ' O' ' 2' ' ' THR . 14.7 m-85 -131.85 138.54 48.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.7 0.286 . . . . 0.0 111.185 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . 0.442 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.714 0.293 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.46 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' P' ' 8' ' ' SER . 41.1 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.49 . . . . 0.0 111.349 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.16 18.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.02 139.06 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 111.693 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.64 103.17 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.579 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.97 120.82 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.481 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -129.67 69.07 81.33 Favored Pre-proline 0 C--O 1.231 0.119 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.726 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.3 Cg_endo -66.96 143.06 64.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.356 2.038 . . . . 0.0 111.667 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -128.94 138.72 52.15 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.879 0.371 . . . . 0.0 111.533 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.855 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.598 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.81 140.61 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.398 -179.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -137.45 136.99 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.246 0.546 . . . . 0.0 111.566 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 122.26 15.66 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.515 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.5 139.35 36.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.587 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 104.47 7.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.03 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.0 120.8 41.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.615 0.245 . . . . 0.0 110.5 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 36.4 m -129.3 69.98 81.48 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 41.6 Cg_endo -67.95 145.43 67.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.462 2.108 . . . . 0.0 112.053 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.7 m-85 -131.17 141.87 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.194 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.779 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.64 37.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.297 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -137.96 137.21 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.457 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.28 123.56 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.32 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.49 139.65 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 103.91 6.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.964 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.8 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.511 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -129.36 70.3 81.7 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.709 0.29 . . . . 0.0 110.796 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 44.6 Cg_endo -68.92 145.25 61.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 19.4 m-85 -131.44 142.13 49.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.788 0.327 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.539 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.85 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.53 137.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.426 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 123.71 16.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.256 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.67 139.6 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.392 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.53 103.67 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.58 120.91 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.464 179.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -129.7 69.83 81.68 Favored Pre-proline 0 CA--C 1.528 0.102 0 CA-C-O 120.704 0.288 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 45.5 Cg_endo -68.72 145.36 62.98 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.466 2.111 . . . . 0.0 112.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.592 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 19.7 m-85 -131.81 142.3 49.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.609 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.59 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.448 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.52 137.06 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.474 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 123.72 16.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.285 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.81 139.58 34.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.389 . . . . 0.0 111.456 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.58 104.1 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.898 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.01 120.88 43.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.51 179.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -129.6 69.68 81.54 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 43.2 Cg_endo -68.36 145.3 65.04 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.597 2.198 . . . . 0.0 112.23 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 18.4 m-85 -132.26 142.17 49.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.544 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.62 37.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -139.76 137.05 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.64 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.181 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.1 139.62 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.84 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.34 120.62 42.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.588 0.233 . . . . 0.0 110.453 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -129.71 69.77 81.66 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 43.4 Cg_endo -68.25 145.59 66.65 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 112.192 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.521 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -132.2 141.86 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.756 0.312 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.505 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.72 37.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.564 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.77 137.15 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.81 122.76 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.327 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.35 139.69 37.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.943 0.402 . . . . 0.0 111.472 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.641 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.82 104.17 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.901 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.01 120.56 41.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.582 179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 44.8 m -129.5 69.33 81.29 Favored Pre-proline 0 CA--C 1.528 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 40.6 Cg_endo -67.61 145.85 71.49 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.672 2.248 . . . . 0.0 112.201 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.5 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 18.8 m-85 -133.04 141.98 48.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.749 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.652 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.62 140.74 37.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.608 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.99 137.05 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.55 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -140.55 123.7 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.135 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.7 139.58 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.601 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.651 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.94 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.691 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.51 41.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.649 0.262 . . . . 0.0 110.403 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 39.8 m -129.62 69.67 81.55 Favored Pre-proline 0 CA--C 1.528 0.117 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 39.8 Cg_endo -67.72 145.76 70.49 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.462 ' HE1' HD11 ' G' ' 3' ' ' ILE . 20.3 m-85 -133.25 142.1 48.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.652 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.87 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.434 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mt -139.48 137.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.339 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.05 123.74 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.152 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.54 35.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.605 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.651 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.37 107.56 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.99 120.66 40.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . 0.417 ' HB2' HD13 ' H' ' 3' ' ' ILE . 42.6 m -129.94 71.59 82.14 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.58 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 49.5 Cg_endo -69.41 145.25 58.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.593 2.196 . . . . 0.0 112.173 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' H' ' 3' ' ' ILE . 21.7 m-85 -133.91 141.56 47.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 140.35 38.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.355 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -138.86 137.3 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.08 127.27 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.615 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.49 139.19 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.58 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.951 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.06 120.86 43.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.418 179.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 69.78 81.47 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.2 Cg_endo -68.04 141.69 53.87 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.517 2.144 . . . . 0.0 112.148 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.537 ' N ' HG21 ' I' ' 2' ' ' THR . 11.8 m-85 -130.56 142.81 50.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.695 0.283 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.25 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.843 0.354 . . . . 0.0 111.449 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.15 136.97 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.5 127.19 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.276 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ALA . . . . . 0.571 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.61 139.5 33.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 111.91 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 102.89 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.928 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.51 120.68 42.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.78 69.48 81.59 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.2 Cg_endo -66.8 145.05 73.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.341 2.028 . . . . 0.0 112.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.518 ' N ' HG21 ' J' ' 2' ' ' THR . 11.6 m-85 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' TYR . . . . . 0.536 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.708 0.29 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.25 137.13 44.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.0 126.94 20.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' ALA . . . . . 0.561 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.45 139.41 33.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.367 . . . . 0.0 111.922 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 102.97 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.8 120.97 43.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.041 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 68.63 81.07 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' PRO . . . . . 0.564 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.9 144.89 78.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.441 2.094 . . . . 0.0 111.98 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' K' ' 2' ' ' THR . 11.3 m-85 -132.84 139.61 47.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' TYR . . . . . 0.536 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.31 37.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.344 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.405 HD11 ' CE1' ' L' ' 10' ' ' TYR . 24.6 mt -138.25 137.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 126.62 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.256 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.38 139.52 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 111.896 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.16 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.95 121.02 43.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.02 68.61 81.13 Favored Pre-proline 0 C--N 1.333 -0.125 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' PRO . . . . . 0.564 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -66.08 144.98 77.8 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.414 2.076 . . . . 0.0 111.95 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 11.2 m-85 -132.32 139.59 48.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 1' ' ' TYR . . . . . 0.501 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.25 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.384 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' M' ' 10' ' ' TYR . 32.2 mt -138.18 137.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 126.92 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.45 139.4 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.872 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.2 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.891 179.633 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.27 120.85 42.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.015 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.19 68.81 81.54 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.61 145.06 74.85 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.374 2.049 . . . . 0.0 111.828 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.47 ' H ' HG21 ' M' ' 2' ' ' THR . 10.5 m-85 -132.11 139.21 48.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . 0.432 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.707 0.289 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.2 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.4 mt -138.14 137.16 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.95 126.52 20.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.36 139.39 33.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 111.834 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.14 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.007 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.06 120.82 42.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 69.05 81.89 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 9' ' ' PRO . . . . . 0.532 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 41.6 Cg_endo -67.24 145.1 71.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.362 2.041 . . . . 0.0 111.681 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.416 ' H ' HG21 ' N' ' 2' ' ' THR . 10.4 m-85 -131.69 140.01 49.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.04 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 1' ' ' TYR . . . . . 0.466 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.71 0.29 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.08 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.363 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 3' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' O' ' 10' ' ' TYR . 28.6 mt -138.33 137.12 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.042 0.449 . . . . 0.0 111.25 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.13 126.69 20.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.304 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.4 139.24 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 103.42 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.891 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' G' G ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.91 42.56 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.365 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 67.9 80.35 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.045 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' F' ' 9' ' ' PRO . 39.1 Cg_endo -66.25 144.64 75.44 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.39 2.06 . . . . 0.0 111.591 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -130.93 139.99 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.883 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' P' ' 10' ' ' TYR . 30.9 mt -137.55 136.53 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.15 0.5 . . . . 0.0 111.371 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.88 125.64 19.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.514 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 5' ' ' ALA . . . . . 0.549 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.18 138.87 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.698 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.81 103.12 6.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.833 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 7' ' ' LEU . . . . . 0.657 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.357 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 68.11 80.81 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.783 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 9' ' ' PRO . . . . . 0.5 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 42.2 Cg_endo -66.65 142.72 65.33 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.34 2.027 . . . . 0.0 111.587 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -128.28 139.52 52.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.887 0.375 . . . . 0.0 111.569 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.877 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.729 0.3 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 2' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.32 140.68 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 -179.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -137.98 136.78 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 111.628 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.56 121.63 14.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.64 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.08 139.24 39.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 111.517 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 6' ' ' LEU . . . . . 0.615 ' HG ' ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -131.73 104.9 7.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.219 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' I' I ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.72 120.89 42.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.9 68.23 80.5 Favored Pre-proline 0 C--O 1.231 0.107 0 CA-C-O 120.672 0.272 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 9' ' ' PRO . . . . . 0.55 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.5 Cg_endo -66.63 145.08 74.79 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.415 2.077 . . . . 0.0 112.059 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 11.1 m-85 -130.55 143.39 50.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 11' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 1' ' ' TYR . . . . . 0.505 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.794 0.33 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 2' ' ' THR . . . . . 0.518 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.67 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.431 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -138.5 137.11 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 124.04 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.344 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.08 139.43 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 111.289 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 104.22 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.2 120.8 43.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.386 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.49 68.72 81.74 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.669 0.271 . . . . 0.0 110.999 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 9' ' ' PRO . . . . . 0.55 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 41.0 Cg_endo -67.76 145.29 68.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.546 2.164 . . . . 0.0 112.073 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 11.0 m-85 -130.89 144.37 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 11' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 1' ' ' TYR . . . . . 0.596 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.482 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.82 137.08 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.97 16.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.46 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 6' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.06 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' K' K ' 7' ' ' LEU . . . . . 0.712 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.87 120.79 43.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.474 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.24 68.77 81.55 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.695 0.283 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -67.84 145.38 68.43 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.472 2.115 . . . . 0.0 112.102 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 10' ' ' TYR . . . . . 0.52 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 11.1 m-85 -131.07 143.1 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.182 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 11' ' ' SER . . . . . 0.529 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 1' ' ' TYR . . . . . 0.596 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.64 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.05 137.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.375 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.78 123.98 16.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.98 139.43 36.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 104.21 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' L' L ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.08 120.96 43.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.361 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.3 67.65 80.23 Favored Pre-proline 0 CA--C 1.529 0.136 0 CA-C-O 120.624 0.249 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 9' ' ' PRO . . . . . 0.598 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.5 Cg_endo -66.55 145.59 76.88 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.566 2.177 . . . . 0.0 112.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 11.2 m-85 -132.05 143.53 50.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 1' ' ' TYR . . . . . 0.709 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 2' ' ' THR . . . . . 0.47 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.72 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.395 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.0 137.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.125 0.488 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -140.74 124.57 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.3 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.45 139.58 35.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.281 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' M' M ' 6' ' ' LEU . . . . . 0.626 ' O ' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 104.01 6.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' M' M ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.35 120.67 42.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.56 68.69 81.77 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 9' ' ' PRO . . . . . 0.598 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 38.2 Cg_endo -67.23 145.64 73.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.575 2.183 . . . . 0.0 112.14 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 11.2 m-85 -131.93 143.2 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' M' M ' 11' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 2' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.64 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.564 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.28 137.06 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.114 0.483 . . . . 0.0 111.575 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 4' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -140.84 124.36 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.427 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.09 139.44 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 111.377 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' N' N ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 104.67 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.65 41.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 67.72 79.9 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.1 Cg_endo -66.36 145.48 77.67 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.093 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 10' ' ' TYR . . . . . 0.489 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.4 m-85 -132.21 142.94 49.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' N' N ' 11' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' O' O ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.736 0.303 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 2' ' ' THR . . . . . 0.5 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.76 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.732 -179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mt -141.2 136.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.087 0.47 . . . . 0.0 111.515 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 4' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.75 124.42 17.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.392 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.51 36.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.444 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' O' O ' 6' ' ' LEU . . . . . 0.607 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.0 104.69 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.068 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' O' O ' 7' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.29 120.63 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.601 0.239 . . . . 0.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.05 68.21 80.65 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' O' O ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 37.2 Cg_endo -66.6 145.62 76.74 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.594 2.196 . . . . 0.0 112.018 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' O' O ' 10' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.8 m-85 -132.77 142.74 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' O' O ' 11' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 1' ' ' TYR . . . . . 0.629 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.77 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.368 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.23 137.51 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.16 123.72 17.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.302 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.83 139.35 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.695 0.283 . . . . 0.0 111.52 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 6' ' ' LEU . . . . . 0.607 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 107.21 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 7' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.26 120.71 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.458 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.75 70.2 82.48 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 9' ' ' PRO . . . . . 0.575 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 46.9 Cg_endo -68.9 145.17 61.29 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.557 2.172 . . . . 0.0 112.14 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 10' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.0 m-85 -132.8 143.13 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 11' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.755 0.312 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.45 38.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.374 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' I' ' 8' ' ' SER . 36.5 mt -139.08 134.28 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.119 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.02 119.19 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.9 30.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.39 136.51 48.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.496 179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.797 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.26 121.42 15.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.0 m -123.54 70.94 47.09 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.923 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.4 Cg_endo -66.53 141.64 61.79 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.62 2.213 . . . . 0.0 112.002 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' N ' HG21 ' I' ' 2' ' ' THR . 8.2 m-85 -133.72 140.97 47.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.731 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.495 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 23.0 t . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.021 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.545 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.49 37.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.515 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 32.6 mt -138.34 134.87 44.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.579 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.29 118.86 11.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.862 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.52 137.79 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.294 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.6 136.5 47.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.819 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.17 121.25 14.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.769 -179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 17.3 m -123.48 70.63 45.68 Favored Pre-proline 0 CA--C 1.53 0.174 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.865 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.1 Cg_endo -64.43 145.41 87.88 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.353 2.035 . . . . 0.0 111.916 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.643 ' N ' HG21 ' J' ' 2' ' ' THR . 7.0 m-85 -136.73 138.41 40.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.545 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 18.0 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.48 37.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.539 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' K' ' 8' ' ' SER . 37.0 mt -138.39 134.61 43.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.579 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.35 118.91 11.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.003 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.46 138.14 30.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.693 0.282 . . . . 0.0 111.271 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.67 136.55 47.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.83 179.502 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.856 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.39 14.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.726 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 69.96 49.14 Favored Pre-proline 0 C--O 1.233 0.187 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.904 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.636 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.1 Cg_endo -64.79 144.43 83.53 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.31 2.007 . . . . 0.0 111.988 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.566 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -134.81 140.01 45.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.866 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.618 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 17.3 t . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.724 0.297 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.491 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.59 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -138.17 134.63 44.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.558 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.38 118.87 11.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.864 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.41 137.61 30.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.701 0.286 . . . . 0.0 111.324 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.35 136.39 48.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.725 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.856 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.34 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.758 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 17.9 m -124.3 70.19 52.83 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.929 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.636 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 33.2 Cg_endo -64.82 144.99 85.23 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.263 1.976 . . . . 0.0 111.956 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' L' ' 2' ' ' THR . 7.0 m-85 -134.99 138.48 44.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.936 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.618 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 13.2 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.701 0.286 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.45 140.25 37.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.41 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.567 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.6 mt -138.08 134.46 44.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.558 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.25 118.75 11.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.798 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.62 137.64 30.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.57 48.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.794 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.49 121.47 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.853 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m -124.08 69.62 49.38 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.618 0.246 . . . . 0.0 111.029 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 31.2 Cg_endo -64.22 145.1 88.33 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.351 2.034 . . . . 0.0 111.718 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' M' ' 2' ' ' THR . 6.6 m-85 -135.48 138.61 43.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.934 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 10.7 t . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.561 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.658 0.266 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 139.98 37.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' N' ' 8' ' ' SER . 40.1 mt -137.82 134.32 45.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.57 11.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.476 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.58 137.74 30.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.661 0.267 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.5 48.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.735 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.5 121.35 14.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 -179.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.24 69.46 50.61 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.119 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 32.8 Cg_endo -64.34 144.95 87.47 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.356 2.038 . . . . 0.0 111.652 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.575 ' H ' HG21 ' N' ' 2' ' ' THR . 6.2 m-85 -134.74 138.01 43.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.028 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 13.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.517 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.73 0.3 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.2 37.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.528 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.1 mt -137.69 133.99 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.38 118.72 11.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.819 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.483 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.61 137.88 30.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.689 0.281 . . . . 0.0 111.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.764 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.33 14.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.872 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.38 69.75 52.67 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-O 120.631 0.253 . . . . 0.0 111.046 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.9 Cg_endo -65.26 143.24 76.5 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.342 2.028 . . . . 0.0 111.544 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.457 ' H ' HG21 ' O' ' 2' ' ' THR . 6.0 m-85 -132.67 139.41 47.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.359 . . . . 0.0 111.075 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.671 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 14.2 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.517 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.761 0.315 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.2 38.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.339 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' P' ' 8' ' ' SER . 46.9 mt -137.37 133.25 46.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.244 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.15 118.5 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.518 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.68 138.11 30.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.457 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.13 47.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.805 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.752 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.03 121.42 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.75 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 17.1 m -124.56 69.5 54.05 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.896 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.489 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.0 Cg_endo -64.81 141.84 73.48 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.359 2.039 . . . . 0.0 111.601 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -131.08 136.02 48.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.913 0.387 . . . . 0.0 111.559 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.671 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 9.6 t . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.854 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.774 0.321 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.607 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.79 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.381 -179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.8 mt -139.89 134.01 36.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.115 0.483 . . . . 0.0 111.715 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.06 119.39 12.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.851 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . 0.429 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.67 138.27 32.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.971 0.415 . . . . 0.0 111.292 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.46 135.85 47.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.986 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.1 121.1 13.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.453 179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' A' ' 3' ' ' ILE . 21.1 m -124.15 69.64 50.07 Favored Pre-proline 0 C--O 1.232 0.139 0 CA-C-O 120.629 0.252 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.569 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.5 Cg_endo -64.76 144.72 84.67 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.316 2.011 . . . . 0.0 112.014 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.5 m-85 -132.66 142.14 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.289 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.753 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.758 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.722 0.296 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.643 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.36 37.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 111.425 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -139.13 134.65 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.269 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.33 119.54 12.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.582 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.91 138.32 31.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.647 0.261 . . . . 0.0 111.245 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.637 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.39 48.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.854 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 120.93 13.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.3 m -124.22 70.08 51.8 Favored Pre-proline 0 CA--C 1.528 0.118 0 CA-C-O 120.612 0.244 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.569 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.7 Cg_endo -65.69 144.72 79.16 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.366 2.044 . . . . 0.0 112.098 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.554 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.4 m-85 -133.26 142.28 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.753 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.4 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.586 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.768 0.318 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.566 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.447 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.09 135.15 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.279 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.549 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.59 119.36 11.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.705 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -141.97 137.81 31.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.636 0.255 . . . . 0.0 111.233 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.26 136.33 48.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.879 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.04 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.667 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' C' ' 3' ' ' ILE . 18.6 m -124.59 69.57 54.45 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.671 0.272 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 33.9 Cg_endo -65.29 145.13 82.96 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.45 2.1 . . . . 0.0 112.051 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.3 m-85 -133.96 141.86 47.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.052 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.735 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 12.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.655 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.761 0.315 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.46 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.444 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -139.58 135.15 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.284 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.5 119.6 12.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.772 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -141.9 137.95 31.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.694 0.283 . . . . 0.0 111.213 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.644 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.31 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.799 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.93 120.92 13.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.708 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.59 ' HB2' HD13 ' D' ' 3' ' ' ILE . 18.1 m -124.38 69.87 53.04 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.644 0.259 . . . . 0.0 110.891 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.6 Cg_endo -65.29 145.15 82.99 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.485 2.123 . . . . 0.0 112.174 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.4 m-85 -134.33 141.64 46.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.001 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.735 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.853 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.663 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.75 0.31 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.25 140.51 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.536 -179.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -140.01 135.4 37.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.309 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.5 119.44 11.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.691 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.03 137.82 31.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.678 0.275 . . . . 0.0 111.258 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.688 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.41 136.55 48.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.971 179.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.81 120.91 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.724 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.567 ' HB2' HD13 ' E' ' 3' ' ' ILE . 19.4 m -124.45 69.56 53.04 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.642 0.258 . . . . 0.0 110.854 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.584 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.3 Cg_endo -65.06 145.15 84.41 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.459 2.106 . . . . 0.0 112.052 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.561 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.8 m-85 -134.37 141.24 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.685 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 16.4 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.663 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.707 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.575 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.73 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.431 -179.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 41.0 mt -140.58 135.43 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.088 0.47 . . . . 0.0 111.376 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.5 119.46 11.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.7 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.08 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.59 0.233 . . . . 0.0 111.332 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.28 136.24 47.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.819 0.342 . . . . 0.0 110.948 179.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.669 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.95 13.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.687 179.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' F' ' 3' ' ' ILE . 19.0 m -124.34 69.31 51.36 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.655 0.264 . . . . 0.0 110.797 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.554 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 32.2 Cg_endo -64.7 145.68 87.18 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.46 2.107 . . . . 0.0 112.035 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.451 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.8 m-85 -134.97 141.2 46.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.64 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 17.6 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.594 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.724 0.297 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.25 140.7 37.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.658 -179.373 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 43.0 mt -141.11 135.47 32.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.527 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.62 119.46 11.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.763 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.22 137.55 30.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 0.0 111.263 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.31 47.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.875 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.91 13.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.685 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' G' ' 3' ' ' ILE . 16.2 m -124.45 69.53 52.95 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.775 0.321 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.646 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.0 Cg_endo -64.84 145.45 86.1 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.512 2.141 . . . . 0.0 112.17 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.508 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.5 m-85 -135.57 141.54 45.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.689 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 19.4 t . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.588 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.776 0.322 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.55 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.433 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 36.7 mt -139.84 136.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.225 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.31 119.6 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.795 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 137.37 31.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.583 0.23 . . . . 0.0 111.174 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.04 136.37 48.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 0.0 110.702 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.18 14.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.57 ' HB2' HD13 ' H' ' 3' ' ' ILE . 17.2 m -125.14 71.17 62.82 Favored Pre-proline 0 C--O 1.232 0.183 0 CA-C-O 120.78 0.324 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.646 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.5 Cg_endo -66.28 144.6 75.11 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.657 2.238 . . . . 0.0 112.338 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.488 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.0 m-85 -135.27 140.57 45.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.728 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 20.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.741 0.305 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.2 37.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.354 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.538 HD13 ' HB2' ' I' ' 8' ' ' SER . 39.3 mt -139.3 133.57 39.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.94 119.35 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.799 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.69 31.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.211 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.84 48.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.627 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.43 121.45 15.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.9 m -123.64 70.41 46.74 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.901 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.612 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -65.99 142.08 66.98 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.544 2.163 . . . . 0.0 112.181 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' N ' HG21 ' I' ' 2' ' ' THR . 7.1 m-85 -134.67 141.06 46.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.783 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.458 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.566 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 120.745 0.307 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.3 37.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' HB2' ' J' ' 8' ' ' SER . 38.0 mt -138.48 134.48 43.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.184 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.28 118.9 11.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.838 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 137.09 30.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.265 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.45 136.51 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.767 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.859 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.28 121.13 14.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.41 70.18 43.93 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.626 0.251 . . . . 0.0 110.936 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.634 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 30.7 Cg_endo -64.28 145.18 88.19 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.339 2.026 . . . . 0.0 112.135 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.628 ' N ' HG21 ' J' ' 2' ' ' THR . 6.8 m-85 -136.66 140.14 42.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.458 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.6 t . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.021 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.701 0.286 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.34 37.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.459 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' K' ' 8' ' ' SER . 41.0 mt -138.43 134.16 43.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.036 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.581 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.93 11.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.747 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.401 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.48 137.03 30.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.696 0.284 . . . . 0.0 111.258 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.24 136.33 48.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.76 179.61 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.859 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.4 14.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.848 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.3 m -123.58 69.73 44.53 Favored Pre-proline 0 CA--C 1.529 0.165 0 CA-C-O 120.666 0.27 . . . . 0.0 111.069 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.634 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 30.5 Cg_endo -63.87 144.88 89.58 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.325 2.017 . . . . 0.0 111.895 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.575 ' N ' HG21 ' K' ' 2' ' ' THR . 6.4 m-85 -136.3 139.57 42.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.848 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.502 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.585 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.488 1.437 0 CA-C-O 120.809 0.337 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.38 140.23 37.39 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.401 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.507 HD13 ' HB2' ' L' ' 8' ' ' SER . 45.2 mt -138.35 134.1 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.34 118.73 11.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.736 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.47 137.14 30.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.676 0.275 . . . . 0.0 111.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.3 136.39 48.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.789 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.802 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.41 14.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.841 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.6 m -123.7 69.6 45.42 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.577 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 32.2 Cg_endo -64.46 144.65 85.94 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.336 2.024 . . . . 0.0 111.843 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 6.1 m-85 -135.17 139.79 44.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.991 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.527 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.585 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.647 0.26 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.27 37.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.329 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.9 mt -138.19 134.35 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.47 118.96 11.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.864 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.467 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.44 137.12 30.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.693 0.282 . . . . 0.0 111.337 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.48 47.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.789 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.58 121.55 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.968 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 43.1 m -123.87 69.35 46.55 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.969 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 32.0 Cg_endo -64.03 144.59 87.99 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.331 2.021 . . . . 0.0 111.748 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' M' ' 2' ' ' THR . 6.0 m-85 -135.34 138.09 43.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.972 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.527 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.579 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.675 0.274 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.15 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.339 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' N' ' 8' ' ' SER . 42.6 mt -138.06 133.83 44.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.537 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.45 118.66 11.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.832 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 137.18 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.272 . . . . 0.0 111.297 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.63 48.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.825 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.772 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.27 121.39 14.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.874 -179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 51.1 m -124.12 69.26 48.93 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.659 0.266 . . . . 0.0 110.99 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 30.2 Cg_endo -63.7 144.98 90.68 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.489 2.126 . . . . 0.0 111.823 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.62 ' H ' HG21 ' N' ' 2' ' ' THR . 6.0 m-85 -135.56 137.89 42.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.184 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.816 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.725 0.298 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.14 37.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.382 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.518 HD13 ' HB2' ' O' ' 8' ' ' SER . 48.2 mt -138.05 133.78 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -141.38 118.76 11.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.86 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.69 137.3 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.662 0.267 . . . . 0.0 111.375 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.58 48.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.709 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.53 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.849 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 49.5 m -124.25 68.81 49.18 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.115 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 31.6 Cg_endo -63.71 144.7 89.92 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.372 2.048 . . . . 0.0 111.548 179.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' O' ' 2' ' ' THR . 5.6 m-85 -134.74 139.3 45.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.031 -179.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.625 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.977 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.697 0.284 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 139.89 37.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.399 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.527 HD13 ' HB2' ' P' ' 8' ' ' SER . 51.3 mt -137.42 133.02 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.313 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.94 118.52 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.925 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.51 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.69 137.66 30.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.462 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.59 136.27 47.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.867 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.703 HD21 HD23 ' P' ' 6' ' ' LEU . 0.0 OUTLIER -140.91 121.52 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.721 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -124.46 68.09 49.48 Favored Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.592 -0.277 . . . . 0.0 110.979 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 31.5 Cg_endo -63.42 142.55 85.62 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.339 2.026 . . . . 0.0 111.648 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.402 ' H ' HG21 ' P' ' 2' ' ' THR . 5.3 m-85 -132.1 137.22 47.65 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.542 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.523 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.957 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.61 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.455 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.9 mt -139.77 134.11 37.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.097 0.475 . . . . 0.0 111.546 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.32 119.5 12.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.819 179.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.65 137.8 32.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.399 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.562 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.55 136.26 47.69 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.028 179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.684 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.31 120.93 13.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.433 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.538 ' HB2' HD13 ' A' ' 3' ' ' ILE . 50.3 m -123.69 68.71 43.07 Favored Pre-proline 0 C--O 1.232 0.162 0 CA-C-O 120.561 0.22 . . . . 0.0 110.821 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 30.4 Cg_endo -63.72 145.03 90.66 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.372 2.048 . . . . 0.0 112.053 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.566 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 6.3 m-85 -133.41 141.86 48.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.642 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.761 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.519 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.772 0.32 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.628 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.68 37.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 mt -139.31 134.71 40.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.329 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.53 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.85 12.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.659 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.7 137.76 31.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.197 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.633 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.33 48.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.804 179.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.716 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.08 13.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.599 179.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.529 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.3 m -124.3 69.18 50.61 Favored Pre-proline 0 C--O 1.233 0.185 0 CA-C-O 120.657 0.265 . . . . 0.0 110.925 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 31.9 Cg_endo -64.77 145.21 85.96 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.507 2.138 . . . . 0.0 112.085 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.56 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 6.4 m-85 -134.57 141.71 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.657 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.727 0.299 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.575 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.55 37.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.327 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.61 135.16 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.371 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.78 119.59 11.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.657 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.76 137.51 31.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.661 0.267 . . . . 0.0 111.177 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.42 48.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.903 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.716 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.98 13.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.524 ' HB2' HD13 ' C' ' 3' ' ' ILE . 50.5 m -124.49 68.78 51.61 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 120.614 0.245 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 31.4 Cg_endo -64.48 145.41 87.65 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.431 2.087 . . . . 0.0 112.178 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.564 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 6.9 m-85 -134.45 141.74 46.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.047 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 6.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.864 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.683 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.685 0.278 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.7 140.48 36.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.365 -179.785 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -139.76 135.46 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.36 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.64 119.68 12.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.76 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.01 30.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.671 0.272 . . . . 0.0 111.183 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.25 47.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.887 179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.89 121.02 13.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.65 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.507 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.9 m -124.17 68.7 48.11 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.93 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.631 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.19 145.21 88.67 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.45 2.1 . . . . 0.0 112.143 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.0 m-85 -134.58 141.77 46.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.602 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 7.1 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.705 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.71 0.29 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.59 140.32 37.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.481 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 44.6 mt -139.74 135.28 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.65 119.6 11.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.723 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.08 30.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.601 0.238 . . . . 0.0 111.212 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.707 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.38 47.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.899 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.68 13.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.512 ' HB2' HD13 ' E' ' 3' ' ' ILE . 50.7 m -123.95 68.69 45.78 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.71 0.291 . . . . 0.0 110.879 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.631 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 30.6 Cg_endo -64.16 145.33 88.97 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.601 2.201 . . . . 0.0 112.193 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.0 m-85 -135.21 141.14 45.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.581 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.799 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.705 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.62 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.51 37.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.54 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 44.3 mt -140.43 135.09 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.54 119.67 12.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.652 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.87 137.11 31.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.614 0.245 . . . . 0.0 111.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.727 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.43 47.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.942 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.96 120.81 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.728 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.508 ' HB2' HD13 ' F' ' 3' ' ' ILE . 50.0 m -124.2 68.77 48.63 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.716 0.293 . . . . 0.0 110.895 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.585 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 30.1 Cg_endo -64.16 145.75 89.57 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.557 2.171 . . . . 0.0 112.118 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 7.1 m-85 -135.83 140.72 44.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.94 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.763 0.316 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.5 37.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 47.1 mt -141.3 135.29 31.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.105 0.479 . . . . 0.0 111.439 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.61 119.64 12.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.712 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.9 137.18 31.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.682 0.277 . . . . 0.0 111.324 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.715 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.56 136.27 47.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.877 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.88 13.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.518 ' HB2' HD13 ' G' ' 3' ' ' ILE . 49.6 m -124.49 68.7 51.46 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.677 0.275 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.653 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.2 Cg_endo -64.39 145.4 88.03 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.46 2.107 . . . . 0.0 112.223 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' G' ' 3' ' ' ILE . 7.4 m-85 -135.5 141.38 45.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.539 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 8.0 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.547 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.746 0.308 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . 0.402 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.76 37.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.529 -179.792 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -140.7 135.24 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.268 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.35 119.73 12.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.723 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.86 137.48 31.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.569 0.224 . . . . 0.0 111.317 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.703 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.52 48.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.16 14.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.527 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.0 m -124.93 70.44 59.72 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.653 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.3 Cg_endo -65.69 145.04 80.31 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.598 2.199 . . . . 0.0 112.375 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.491 ' CE1' HD11 ' H' ' 3' ' ' ILE . 8.2 m-85 -136.17 141.14 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.742 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.537 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 8.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.237 -0.887 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.685 0.279 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.96 140.24 38.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.547 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.2 mt -138.58 133.36 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.92 118.98 11.92 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.768 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.24 31.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.27 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.15 136.58 48.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 179.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.812 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.69 121.33 16.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.8 m -123.81 70.42 48.48 Favored Pre-proline 0 C--O 1.232 0.154 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.857 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.606 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.8 Cg_endo -66.58 142.0 62.96 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.172 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.669 ' N ' HG21 ' I' ' 2' ' ' THR . 9.7 m-85 -134.68 140.58 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.981 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.596 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.739 0.304 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.406 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' J' ' 8' ' ' SER . 39.4 mt -138.06 133.92 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.366 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.3 118.98 11.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.837 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.44 138.15 30.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.683 0.278 . . . . 0.0 111.281 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.411 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.21 136.65 48.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.717 179.566 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.833 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.99 121.16 14.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.826 -179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.3 m -123.76 70.27 47.68 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.606 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.8 Cg_endo -65.24 144.74 82.06 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.216 1.944 . . . . 0.0 112.106 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.653 ' N ' HG21 ' J' ' 2' ' ' THR . 9.1 m-85 -136.56 139.43 42.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.802 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.583 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.685 0.279 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.13 37.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.318 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.582 HD13 ' HB2' ' K' ' 8' ' ' SER . 40.8 mt -137.79 133.63 45.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.27 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.83 11.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.714 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.39 138.35 31.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.651 0.262 . . . . 0.0 111.332 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 136.64 48.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.773 179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.852 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.19 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.735 -179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 15.3 m -123.9 69.67 47.69 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.913 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.624 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.7 Cg_endo -64.98 144.86 84.04 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.387 2.058 . . . . 0.0 112.071 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.578 ' N ' HG21 ' K' ' 2' ' ' THR . 8.7 m-85 -135.86 139.35 43.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.91 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.32 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.256 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.8 mt -138.14 133.9 44.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.992 0.425 . . . . 0.0 111.243 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.39 118.84 11.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.837 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.46 138.14 30.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.691 0.281 . . . . 0.0 111.348 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.63 48.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.763 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.852 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.43 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.2 m -123.95 69.35 47.45 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.968 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.624 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 35.4 Cg_endo -65.17 143.82 79.16 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.366 2.044 . . . . 0.0 111.912 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' L' ' 2' ' ' THR . 8.5 m-85 -134.59 138.91 44.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.01 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.745 0.307 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.32 37.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.349 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.552 HD13 ' HB2' ' M' ' 8' ' ' SER . 40.9 mt -137.96 133.68 44.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.3 118.78 11.53 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.757 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.484 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.51 138.18 30.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.349 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.39 136.57 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.813 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.81 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.26 121.4 14.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.888 -179.848 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.4 69.66 52.77 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-O 120.696 0.284 . . . . 0.0 110.944 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 32.8 Cg_endo -64.74 144.72 84.74 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.464 2.109 . . . . 0.0 111.871 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.6 ' H ' HG21 ' M' ' 2' ' ' THR . 8.1 m-85 -135.5 138.36 43.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.15 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.828 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.548 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.691 0.281 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.434 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' N' ' 8' ' ' SER . 43.1 mt -138.0 133.4 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.562 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.51 118.79 11.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.719 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.474 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.63 138.52 30.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.641 0.258 . . . . 0.0 111.422 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.51 136.73 48.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.802 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.81 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.38 14.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.877 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.1 m -124.3 68.76 49.56 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.971 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.72 144.21 83.15 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.385 2.057 . . . . 0.0 111.663 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.543 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -134.31 138.46 44.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.124 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.548 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.736 0.303 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.3 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.31 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.559 HD13 ' HB2' ' O' ' 8' ' ' SER . 43.2 mt -137.86 133.35 44.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.34 118.66 11.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.76 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.505 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.62 138.4 30.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.654 0.264 . . . . 0.0 111.359 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.55 136.62 47.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.834 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.756 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.26 121.44 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.812 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -124.46 68.89 51.62 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.931 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.485 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.2 Cg_endo -64.74 144.36 83.54 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.36 2.04 . . . . 0.0 111.494 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.528 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.04 139.16 45.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.151 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.936 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.749 0.309 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.25 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.368 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.1 mt -137.03 133.04 47.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.0 118.27 11.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.864 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.523 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.71 138.58 30.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.938 0.399 . . . . 0.0 111.446 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.6 136.27 47.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.95 179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.45 14.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.749 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 18.0 m -124.71 68.38 52.92 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.994 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 32.8 Cg_endo -63.76 143.42 86.35 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.311 2.007 . . . . 0.0 111.675 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.461 ' H ' HG21 ' P' ' 2' ' ' THR . 6.7 m-85 -133.0 136.16 45.88 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.823 0.344 . . . . 0.0 111.574 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.97 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.704 0.288 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.669 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.73 37.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.379 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.2 mt -138.74 133.66 41.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.144 0.497 . . . . 0.0 111.637 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.11 119.3 12.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.744 179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.84 138.96 32.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.358 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.484 HD23 HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.67 136.32 47.59 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.94 121.15 13.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.483 179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.547 ' HB2' HD13 ' A' ' 3' ' ' ILE . 15.8 m -124.06 68.26 45.8 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.704 -0.225 . . . . 0.0 110.994 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.3 Cg_endo -63.91 145.18 89.93 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.357 2.038 . . . . 0.0 112.23 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.596 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.69 142.01 47.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.164 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.797 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.754 0.311 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.653 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.01 140.55 38.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.341 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -138.4 134.34 43.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.366 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.38 119.61 12.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.707 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.82 138.26 32.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.689 0.281 . . . . 0.0 111.178 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.584 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.31 136.43 48.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.801 179.554 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.11 13.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.769 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' B' ' 3' ' ' ILE . 16.1 m -124.65 69.31 54.48 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.718 0.294 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.7 Cg_endo -65.18 145.26 83.92 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.517 2.144 . . . . 0.0 112.01 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.583 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.36 142.1 47.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.075 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.893 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.446 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.753 0.311 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.578 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.33 140.61 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.332 -179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.4 mt -138.87 134.71 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.403 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.56 119.47 11.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.671 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.99 138.14 31.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.693 0.282 . . . . 0.0 111.246 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.621 HD23 HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.12 136.22 48.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.792 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.98 14.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.559 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.582 ' HB2' HD13 ' C' ' 3' ' ' ILE . 16.2 m -124.64 69.48 54.77 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.849 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.7 Cg_endo -65.55 145.15 81.44 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.413 2.075 . . . . 0.0 112.064 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.549 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.2 m-85 -134.34 142.08 47.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.865 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.678 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.679 0.276 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.36 140.57 37.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.268 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.97 135.06 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.989 0.423 . . . . 0.0 111.436 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.69 119.36 11.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.681 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.14 31.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.643 0.259 . . . . 0.0 111.245 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.645 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.47 136.32 47.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.804 179.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.717 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.58 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' D' ' 3' ' ' ILE . 16.5 m -124.64 68.9 53.5 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-O 120.672 0.273 . . . . 0.0 110.964 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 33.3 Cg_endo -65.11 145.21 84.21 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.424 2.083 . . . . 0.0 112.074 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.6 m-85 -134.59 141.88 46.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.969 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.681 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.718 0.294 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.6 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.46 37.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.353 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 38.9 mt -139.23 135.15 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.474 . . . . 0.0 111.41 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.58 119.35 11.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.63 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 137.88 31.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.627 0.251 . . . . 0.0 111.316 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.659 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.33 136.37 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.717 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 120.89 13.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.654 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.552 ' HB2' HD13 ' E' ' 3' ' ' ILE . 16.4 m -124.68 69.11 54.41 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.689 0.28 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 34.6 Cg_endo -65.31 145.43 83.56 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.518 2.146 . . . . 0.0 112.095 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 8.9 m-85 -135.08 141.84 46.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.958 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.681 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.543 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.57 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.396 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.4 mt -139.88 135.05 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.547 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.58 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.66 119.49 11.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.635 179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.03 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.7 0.286 . . . . 0.0 111.276 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.5 136.3 47.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.714 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.63 121.0 14.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.619 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' F' ' 3' ' ' ILE . 16.0 m -124.38 68.97 50.95 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.76 0.314 . . . . 0.0 110.925 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.584 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 31.7 Cg_endo -64.65 145.51 87.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.529 2.152 . . . . 0.0 112.085 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.501 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 9.1 m-85 -135.97 141.27 44.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.684 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.528 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.62 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.495 -179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 mt -140.48 134.84 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.079 0.466 . . . . 0.0 111.568 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.38 119.39 11.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.643 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.75 31.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.582 0.229 . . . . 0.0 111.357 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.756 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.43 136.47 48.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.777 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 120.83 13.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.634 179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.559 ' HB2' HD13 ' G' ' 3' ' ' ILE . 15.7 m -124.31 68.81 49.87 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.719 0.295 . . . . 0.0 110.921 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.6 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 32.5 Cg_endo -64.84 145.45 86.11 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.53 2.153 . . . . 0.0 112.204 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' G' ' 3' ' ' ILE . 9.4 m-85 -135.85 141.98 44.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.723 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.684 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.81 0.338 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . 0.461 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -138.86 140.55 38.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.343 -179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -139.95 134.71 37.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.358 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.43 119.74 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.683 179.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.62 138.28 32.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.627 0.251 . . . . 0.0 111.307 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.723 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.52 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.62 179.628 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.712 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.31 121.18 14.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.772 -179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.573 ' HB2' HD13 ' H' ' 3' ' ' ILE . 16.0 m -124.89 70.59 59.64 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.6 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.1 Cg_endo -66.41 144.98 75.76 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.564 2.176 . . . . 0.0 112.208 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' H' ' 3' ' ' ILE . 10.6 m-85 -136.27 141.66 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.87 0.367 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.25 37.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' I' ' 8' ' ' SER . 35.7 mt -138.54 133.97 42.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.591 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.2 118.96 11.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.38 136.04 29.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.303 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -130.08 136.23 49.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.792 0.33 . . . . 0.0 110.516 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.791 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.35 121.41 15.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.8 m -122.54 71.22 37.32 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.802 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -66.15 142.48 67.6 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.507 2.138 . . . . 0.0 112.036 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.637 ' N ' HG21 ' I' ' 2' ' ' THR . 8.7 m-85 -135.25 141.14 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.03 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.544 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.731 0.301 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.37 37.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.297 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.499 HD13 ' HB2' ' J' ' 8' ' ' SER . 35.9 mt -137.42 134.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.591 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.27 118.79 11.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.877 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.51 136.29 29.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.695 0.283 . . . . 0.0 111.308 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -131.04 136.17 48.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.622 179.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.844 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.43 121.36 14.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.873 -179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.5 m -122.24 70.22 31.95 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.99 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.619 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 28.7 Cg_endo -63.71 145.31 90.97 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.194 1.929 . . . . 0.0 111.949 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.642 ' N ' HG21 ' J' ' 2' ' ' THR . 7.6 m-85 -137.45 139.5 40.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.029 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.586 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.704 0.288 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.35 37.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' K' ' 8' ' ' SER . 39.2 mt -137.19 134.47 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.609 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.714 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.68 136.02 28.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.303 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.464 ' O ' ' HA ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.12 136.12 48.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.723 179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.844 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.57 14.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.825 -179.775 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 69.3 m -122.56 70.3 35.44 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.619 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 29.3 Cg_endo -63.91 145.26 90.01 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.315 2.01 . . . . 0.0 111.949 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.6 ' N ' HG21 ' K' ' 2' ' ' THR . 7.4 m-85 -136.77 139.43 41.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.835 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.42 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.591 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.782 0.325 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.06 37.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.101 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' L' ' 8' ' ' SER . 40.7 mt -137.15 134.26 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.609 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.35 118.72 11.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.806 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.438 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.67 136.41 29.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.307 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.464 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.6 OUTLIER -131.28 136.38 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.641 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.786 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.52 14.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.856 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.0 m -122.69 70.09 36.32 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.675 0.274 . . . . 0.0 110.905 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.573 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 31.0 Cg_endo -64.16 145.22 88.8 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.367 2.045 . . . . 0.0 111.85 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.59 ' H ' HG21 ' L' ' 2' ' ' THR . 7.4 m-85 -136.36 138.87 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.04 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.24 -0.885 . . . . 0.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.591 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.767 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.47 140.11 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.195 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' M' ' 8' ' ' SER . 42.0 mt -136.88 134.29 48.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.4 118.55 11.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.869 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.426 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.78 136.58 28.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.558 0.218 . . . . 0.0 111.339 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' D' ' 6' ' ' LEU . 0.6 OUTLIER -131.46 136.21 47.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.652 179.449 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.803 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.59 14.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 69.4 m -123.06 69.83 39.46 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.686 0.279 . . . . 0.0 111.01 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.609 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 30.3 Cg_endo -63.93 144.83 89.13 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.378 2.052 . . . . 0.0 111.879 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.593 ' H ' HG21 ' M' ' 2' ' ' THR . 7.2 m-85 -135.72 138.0 42.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.106 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.484 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.813 0.34 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.36 37.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' N' ' 8' ' ' SER . 44.1 mt -137.29 133.92 46.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.086 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.36 118.43 11.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.746 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.75 136.26 28.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.374 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.444 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 0.6 OUTLIER -131.17 136.11 48.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.673 179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.803 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.4 121.53 14.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.842 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 69.8 m -123.02 69.34 37.79 Favored Pre-proline 0 CA--C 1.529 0.152 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.063 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.609 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 29.8 Cg_endo -63.66 144.74 90.29 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.413 2.075 . . . . 0.0 111.761 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.581 ' H ' HG21 ' N' ' 2' ' ' THR . 6.6 m-85 -135.31 137.44 42.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.059 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.901 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.551 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.3 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.736 0.303 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.15 37.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.536 HD11 ' CE1' ' O' ' 10' ' ' TYR . 47.5 mt -136.91 133.92 48.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.191 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.42 118.45 11.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.758 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.459 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.78 136.21 28.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.394 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.444 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 0.6 OUTLIER -131.3 136.28 48.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.723 179.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' H' ' 7' ' ' LEU . 0.0 OUTLIER -140.59 121.46 14.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.862 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 68.2 m -122.85 69.48 36.45 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.985 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' H' ' 9' ' ' PRO . 31.1 Cg_endo -64.07 143.96 85.99 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.401 2.067 . . . . 0.0 111.671 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.537 ' H ' HG21 ' O' ' 2' ' ' THR . 6.5 m-85 -134.12 137.96 44.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.065 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.551 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.732 0.301 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.28 37.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.271 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.532 HD11 ' CE1' ' P' ' 10' ' ' TYR . 49.7 mt -136.58 133.57 49.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.049 0.452 . . . . 0.0 111.269 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.17 118.15 11.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.805 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.454 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.86 136.1 28.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.488 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.31 135.9 47.68 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.754 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.795 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.14 121.48 13.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -123.41 69.2 41.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.859 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 31.0 Cg_endo -63.71 143.09 85.84 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.413 2.075 . . . . 0.0 111.541 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.502 ' H ' HG21 ' P' ' 2' ' ' THR . 6.1 m-85 -132.98 134.62 44.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.578 -179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.795 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.691 0.282 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.637 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.68 37.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.323 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.93 133.77 41.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.183 0.516 . . . . 0.0 111.63 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -141.14 119.2 11.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.616 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 137.41 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.324 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.543 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -131.49 135.92 47.48 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.005 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.78 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.06 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.419 179.545 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' A' ' 3' ' ' ILE . 68.7 m -122.96 68.82 35.87 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.68 0.276 . . . . 0.0 110.974 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.666 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 30.0 Cg_endo -64.11 144.7 87.9 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.421 2.081 . . . . 0.0 112.15 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.544 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 8.2 m-85 -133.22 142.39 48.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.677 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.765 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.642 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.14 140.49 37.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.332 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -138.38 134.18 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.429 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.58 119.22 11.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.546 179.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -141.94 137.0 30.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.664 0.268 . . . . 0.0 111.15 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.596 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.25 136.46 48.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.865 179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.78 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.73 120.97 13.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.656 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.499 ' HB2' HD13 ' B' ' 3' ' ' ILE . 67.6 m -122.69 69.92 35.86 Favored Pre-proline 0 C--O 1.232 0.167 0 CA-C-O 120.635 0.255 . . . . 0.0 110.835 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.666 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.0 Cg_endo -64.9 145.11 85.15 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.476 2.117 . . . . 0.0 112.14 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.586 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 7.8 m-85 -134.91 141.4 46.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.438 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.856 0.36 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.6 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.5 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.167 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mt -138.37 135.11 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.446 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.53 179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -141.95 136.12 30.06 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.667 0.27 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.587 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -130.98 136.18 48.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.689 179.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 121.06 13.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.637 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' C' ' 3' ' ' ILE . 68.3 m -123.07 69.65 39.14 Favored Pre-proline 0 CA--C 1.528 0.097 0 CA-C-O 120.759 0.314 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 31.7 Cg_endo -64.95 145.34 85.39 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.495 2.13 . . . . 0.0 112.108 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.539 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 7.8 m-85 -135.07 141.7 46.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.574 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.713 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.59 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.42 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.292 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 44.0 mt -138.52 135.17 43.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.098 0.475 . . . . 0.0 111.376 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.43 119.31 11.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.606 179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.96 135.81 29.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.571 0.224 . . . . 0.0 111.137 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.634 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.02 136.08 48.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.783 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.71 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 121.12 13.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.844 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' D' ' 3' ' ' ILE . 67.3 m -123.09 69.36 38.52 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.624 0.25 . . . . 0.0 110.895 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 31.2 Cg_endo -64.23 145.34 88.65 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.578 2.185 . . . . 0.0 112.256 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.535 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 7.9 m-85 -135.45 140.82 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.103 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 5.2 t . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.888 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.713 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.593 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.43 37.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.256 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -138.85 135.32 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 111.338 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.47 119.48 11.99 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.552 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.16 136.23 29.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.627 0.251 . . . . 0.0 111.152 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' E' ' 7' ' ' LEU . 0.5 OUTLIER -131.22 136.05 47.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.79 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 121.03 13.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.698 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' E' ' 3' ' ' ILE . 69.1 m -123.08 69.55 38.92 Favored Pre-proline 0 C--O 1.233 0.188 0 CA-C-O 120.68 0.276 . . . . 0.0 110.786 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 32.4 Cg_endo -64.76 145.31 86.19 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.189 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 7.9 m-85 -135.34 140.71 45.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.6 t . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.644 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.77 0.319 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.581 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.51 37.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.341 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 mt -139.54 135.69 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.098 0.475 . . . . 0.0 111.451 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.565 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.75 119.29 11.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.711 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 135.94 29.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.655 HD23 HD21 ' F' ' 7' ' ' LEU . 0.5 OUTLIER -131.1 135.7 47.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.899 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.72 120.93 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.669 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' F' ' 3' ' ' ILE . 67.8 m -123.17 69.32 39.3 Favored Pre-proline 0 CA--C 1.529 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.663 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 29.6 Cg_endo -64.3 145.38 88.41 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.486 2.124 . . . . 0.0 112.201 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.4 m-85 -135.74 141.07 44.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.449 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.644 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.537 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.61 37.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.527 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.91 135.77 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.084 0.469 . . . . 0.0 111.483 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.6 119.07 11.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.591 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 135.61 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.506 0.193 . . . . 0.0 111.298 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.69 HD23 HD21 ' G' ' 7' ' ' LEU . 0.5 OUTLIER -131.28 136.05 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.827 179.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 120.83 13.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.469 ' HB2' HD13 ' G' ' 3' ' ' ILE . 68.2 m -122.94 69.64 37.72 Favored Pre-proline 0 C--O 1.232 0.159 0 CA-C-O 120.712 0.291 . . . . 0.0 110.732 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.663 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 31.0 Cg_endo -64.43 145.55 88.09 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.534 2.156 . . . . 0.0 112.204 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.4 m-85 -136.1 141.11 44.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.753 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.967 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.884 0.373 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . 0.502 HG21 ' H ' ' H' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.66 37.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.301 -179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mt -139.57 135.78 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.35 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.41 119.33 11.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.19 134.33 27.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.773 -0.194 . . . . 0.0 111.387 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.646 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -129.71 136.21 49.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.667 179.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.658 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.24 121.25 14.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.759 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.466 ' HB2' HD13 ' H' ' 3' ' ' ILE . 69.4 m -123.54 71.46 48.14 Favored Pre-proline 0 N--CA 1.456 -0.173 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.8 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.637 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 37.9 Cg_endo -66.43 145.05 75.88 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.549 2.166 . . . . 0.0 112.272 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.532 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.6 m-85 -136.74 140.98 43.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.784 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.847 0.356 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.11 37.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.231 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.0 mt -138.83 134.83 42.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.583 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.03 119.07 11.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.34 135.6 28.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.289 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -129.25 136.38 50.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.84 0.352 . . . . 0.0 110.601 179.398 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.786 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.18 121.46 15.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.473 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.8 70.52 38.48 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.999 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.7 Cg_endo -65.92 142.83 70.55 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.533 2.155 . . . . 0.0 111.972 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' I' ' 2' ' ' THR . 8.8 m-85 -135.18 141.25 45.85 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.594 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 35.6 t . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.765 0.317 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.22 37.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.362 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' J' ' 10' ' ' TYR . 38.5 mt -138.02 135.32 45.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.32 118.86 11.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.805 179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' J' ' 6' ' ' LEU . . . -142.54 137.15 29.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.33 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.461 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -131.27 136.42 48.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.767 179.61 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.834 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.2 121.16 14.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.4 70.56 34.35 Favored Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.86 179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.627 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 32.5 Cg_endo -64.51 145.24 87.21 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.244 1.962 . . . . 0.0 111.812 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.603 ' N ' HG21 ' J' ' 2' ' ' THR . 7.8 m-85 -136.67 138.49 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.843 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 32.3 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.565 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.732 0.301 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.1 37.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.29 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' K' ' 10' ' ' TYR . 44.4 mt -137.78 134.95 45.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.587 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.33 118.68 11.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.72 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.414 ' CB ' HD22 ' K' ' 6' ' ' LEU . . . -142.53 137.01 29.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.652 0.263 . . . . 0.0 111.351 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' B' ' 6' ' ' LEU . 0.5 OUTLIER -131.32 136.48 48.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.691 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.839 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.16 14.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.801 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.56 70.21 35.23 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.627 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 33.3 Cg_endo -64.92 145.11 85.02 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.294 1.996 . . . . 0.0 111.949 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 8.0 m-85 -136.05 138.36 42.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.867 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.656 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 33.8 t . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.546 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.781 0.324 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.24 37.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.299 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' L' ' 10' ' ' TYR . 44.8 mt -137.95 134.73 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.984 0.421 . . . . 0.0 111.102 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.09 118.45 11.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.66 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.432 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.6 136.8 29.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' C' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.766 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.32 121.47 14.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.21 70.06 41.54 Favored Pre-proline 0 CA--C 1.529 0.171 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.949 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.596 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 32.4 Cg_endo -64.75 144.31 83.32 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.347 2.031 . . . . 0.0 111.875 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 7.5 m-85 -134.62 138.06 44.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.937 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.696 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 32.2 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.539 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.741 0.305 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.17 37.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.475 HD11 ' CE1' ' M' ' 10' ' ' TYR . 48.6 mt -137.83 134.76 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.315 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.575 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.26 118.72 11.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.778 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.83 136.47 28.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.659 0.266 . . . . 0.0 111.391 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' F' ' 6' ' ' LEU . 0.5 OUTLIER -131.09 136.48 48.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.803 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.816 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.4 14.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.677 -179.823 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.98 69.78 38.53 Favored Pre-proline 0 CA--C 1.529 0.146 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.016 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.596 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.3 Cg_endo -64.79 144.79 84.71 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.381 2.054 . . . . 0.0 111.806 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.585 ' H ' HG21 ' M' ' 2' ' ' THR . 7.8 m-85 -135.35 136.88 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.696 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 31.9 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.543 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.39 140.22 37.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.252 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.7 mt -137.69 134.89 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.586 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.46 118.56 11.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.762 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.83 136.78 29.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.371 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' E' ' 6' ' ' LEU . 0.5 OUTLIER -131.23 136.43 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.85 179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.37 121.41 14.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.771 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.71 69.43 34.91 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.974 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 34.7 Cg_endo -64.55 144.94 86.37 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.291 1.994 . . . . 0.0 111.7 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' N' ' 2' ' ' THR . 7.4 m-85 -135.42 136.86 41.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.127 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.637 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 27.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.899 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.543 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.744 0.307 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.18 37.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.204 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.537 HD11 ' CE1' ' O' ' 10' ' ' TYR . 46.2 mt -137.49 134.51 46.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.041 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.24 118.31 11.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.746 179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.73 136.98 29.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.699 0.285 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' H' ' 6' ' ' LEU . 0.5 OUTLIER -131.35 136.42 48.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.821 179.632 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.38 121.44 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.739 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.22 69.73 40.8 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.921 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 36.4 Cg_endo -65.18 144.82 82.7 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.306 2.004 . . . . 0.0 111.678 179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.511 ' H ' HG21 ' O' ' 2' ' ' THR . 7.0 m-85 -134.49 137.64 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.159 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.637 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 22.9 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.928 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.488 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.848 0.356 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.2 37.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.36 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.515 HD11 ' CE1' ' P' ' 10' ' ' TYR . 51.8 mt -136.85 133.98 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.064 0.459 . . . . 0.0 111.216 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -141.08 118.14 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.838 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.491 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.96 137.18 29.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.939 0.399 . . . . 0.0 111.524 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.426 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 0.5 OUTLIER -131.63 136.06 47.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.813 179.55 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.42 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.64 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.5 68.96 41.79 Favored Pre-proline 0 C--N 1.332 -0.161 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.083 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.459 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 34.8 Cg_endo -64.27 142.31 79.09 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.401 2.067 . . . . 0.0 111.569 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -131.6 135.71 47.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.785 0.326 . . . . 0.0 111.45 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.603 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 22.1 t . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.841 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.784 0.326 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.13 140.67 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.43 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 47.5 mt -139.13 134.62 41.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.103 0.478 . . . . 0.0 111.743 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.93 119.02 11.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.729 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -141.85 137.52 31.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.91 0.386 . . . . 0.0 111.221 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.51 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.55 136.2 47.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.954 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.91 121.06 13.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.416 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.93 69.43 37.09 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-O 120.642 0.258 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.9 Cg_endo -65.1 144.67 82.65 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.407 2.071 . . . . 0.0 112.147 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 7.9 m-85 -133.28 141.54 48.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.203 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 23.2 t . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.838 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.512 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.771 0.32 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.603 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.38 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 46.1 mt -139.06 135.25 42.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.038 0.447 . . . . 0.0 111.351 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.54 119.09 11.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.585 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -141.86 137.56 31.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.646 0.26 . . . . 0.0 111.202 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.595 HD23 HD21 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -131.41 136.71 48.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.85 179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.04 14.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.14 69.67 39.86 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.596 0.236 . . . . 0.0 110.953 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.2 Cg_endo -65.46 145.12 81.95 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.435 2.09 . . . . 0.0 112.042 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.565 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 8.0 m-85 -134.11 141.73 47.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.025 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 24.3 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.796 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.512 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.741 0.305 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.4 140.44 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.207 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 45.5 mt -139.0 135.83 42.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.275 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.5 12.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.674 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.04 137.15 30.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.634 0.254 . . . . 0.0 111.156 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.59 ' CD2' HD21 ' C' ' 7' ' ' LEU . 0.5 OUTLIER -131.39 136.36 47.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.812 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.694 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 121.03 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.18 69.42 39.62 Favored Pre-proline 0 C--O 1.232 0.15 0 CA-C-O 120.664 0.269 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.562 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 33.6 Cg_endo -64.9 145.12 85.13 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.522 2.148 . . . . 0.0 112.035 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.546 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 8.0 m-85 -134.63 140.9 46.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.013 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.76 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 22.7 t . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.829 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.789 0.328 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.55 37.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.286 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 48.1 mt -139.3 135.79 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.064 0.459 . . . . 0.0 111.363 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.44 119.25 11.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.582 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.95 136.7 30.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.641 0.258 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.627 HD23 HD21 ' D' ' 7' ' ' LEU . 0.5 OUTLIER -131.26 136.1 47.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.804 179.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.6 120.92 13.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.64 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.44 69.76 43.12 Favored Pre-proline 0 C--O 1.232 0.152 0 CA-C-O 120.701 0.286 . . . . 0.0 110.905 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.602 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 34.0 Cg_endo -65.64 145.21 81.05 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.434 2.089 . . . . 0.0 112.092 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.486 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 8.1 m-85 -134.13 141.53 47.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.724 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 29.7 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.89 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.626 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.762 0.315 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.585 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.72 140.54 36.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.341 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mt -139.89 135.68 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.055 0.455 . . . . 0.0 111.303 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.565 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.55 119.41 11.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.691 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.03 137.34 31.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.583 0.23 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.638 HD23 HD21 ' E' ' 7' ' ' LEU . 0.4 OUTLIER -131.52 136.14 47.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.865 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.709 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.98 13.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.664 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.7 69.28 44.59 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.758 0.313 . . . . 0.0 110.934 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 33.0 Cg_endo -64.94 145.38 85.52 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.549 2.166 . . . . 0.0 112.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 8.1 m-85 -134.84 140.15 45.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.981 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.724 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 30.3 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.795 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.631 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.695 0.283 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.31 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.403 -179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 49.6 mt -139.9 135.57 38.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.053 0.454 . . . . 0.0 111.508 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.572 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.55 119.32 11.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.706 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.82 137.37 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 0.0 111.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.683 HD23 HD21 ' F' ' 7' ' ' LEU . 0.4 OUTLIER -131.58 136.26 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.87 120.79 13.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.594 179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.427 ' HB2' HD13 ' F' ' 3' ' ' ILE . 0.2 OUTLIER -123.13 68.82 37.62 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.857 179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.64 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.0 Cg_endo -64.83 145.45 86.14 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.52 ' CE1' HD11 ' F' ' 3' ' ' ILE . 8.1 m-85 -135.38 140.58 45.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.715 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 33.6 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.631 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.827 0.346 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.511 HG21 ' H ' ' G' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.72 37.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.573 -179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -141.1 135.31 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.579 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.572 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.742 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 137.0 30.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.7 0.285 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.7 HD23 HD21 ' G' ' 7' ' ' LEU . 0.4 OUTLIER -131.25 136.25 48.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 179.845 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.9 120.69 13.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.686 179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.413 ' HB2' HD13 ' G' ' 3' ' ' ILE . 0.2 OUTLIER -123.06 69.07 37.51 Favored Pre-proline 0 N--CA 1.456 -0.166 0 CA-C-O 120.672 0.272 . . . . 0.0 110.743 179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.641 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 31.7 Cg_endo -64.87 145.31 85.67 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.45 2.1 . . . . 0.0 112.207 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.537 ' CE1' HD11 ' G' ' 3' ' ' ILE . 8.8 m-85 -135.16 140.99 45.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 34.1 t . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.82 0.343 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.4 140.79 37.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.482 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mt -140.26 136.3 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.283 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.33 119.4 12.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.587 179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.13 135.85 29.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.627 0.251 . . . . 0.0 111.287 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.676 HD23 HD21 ' H' ' 7' ' ' LEU . 0.5 OUTLIER -129.7 136.29 49.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 0.0 110.731 179.596 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.88 121.14 14.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.659 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.401 ' HB2' HD13 ' H' ' 3' ' ' ILE . 0.2 OUTLIER -124.19 71.55 54.66 Favored Pre-proline 0 C--N 1.333 -0.148 0 CA-C-O 120.839 0.352 . . . . 0.0 110.683 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.641 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.3 Cg_endo -67.31 144.39 67.96 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.439 2.092 . . . . 0.0 112.274 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.515 ' CE1' HD11 ' H' ' 3' ' ' ILE . 9.1 m-85 -134.95 140.44 45.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.647 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 36.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.83 0.347 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.66 140.2 38.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt -139.01 135.64 42.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -141.01 118.92 11.8 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.33 138.45 31.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 0.9 OUTLIER -131.2 136.5 48.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.985 0.422 . . . . 0.0 110.595 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.811 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.01 121.45 16.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.733 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.0 70.65 67.88 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-O 120.79 0.329 . . . . 0.0 111.406 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.23 140.96 60.89 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 111.361 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.435 ' N ' HG21 ' I' ' 2' ' ' THR . 6.4 m-85 -131.6 151.65 51.44 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.873 0.368 . . . . 0.0 111.647 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.474 -0.774 . . . . 0.0 111.513 179.4 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.446 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 23.2 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.735 0.302 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.33 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.551 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.43 HD11 ' CE1' ' J' ' 10' ' ' TYR . 53.1 mt -138.45 136.05 43.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.91 118.63 11.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.761 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.443 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.56 138.15 30.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.079 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.435 ' HA ' ' HG ' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -131.21 136.64 48.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.786 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.822 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.14 14.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.559 -179.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -125.88 70.38 66.56 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.564 0.221 . . . . 0.0 111.287 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.512 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.18 144.59 81.85 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.247 1.965 . . . . 0.0 111.308 179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.453 ' H ' HG21 ' J' ' 2' ' ' THR . 5.8 m-85 -133.99 149.58 51.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.882 0.373 . . . . 0.0 111.569 -179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.285 179.468 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.486 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.796 0.331 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.4 37.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.508 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' K' ' 10' ' ' TYR . 50.8 mt -138.23 136.11 44.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.0 118.53 11.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.899 179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.424 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.5 138.23 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.278 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.51 136.62 48.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.787 0.327 . . . . 0.0 110.875 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.822 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.13 121.4 14.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.33 69.68 68.69 Favored Pre-proline 0 CA--C 1.53 0.179 0 CA-C-O 120.609 0.243 . . . . 0.0 111.369 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HB3' ' HG2' ' D' ' 9' ' ' PRO . 35.7 Cg_endo -65.04 143.56 79.08 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.302 2.002 . . . . 0.0 111.286 179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -132.27 149.5 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 111.664 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.398 -0.811 . . . . 0.0 111.177 179.616 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.486 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.27 37.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.815 0.341 . . . . 0.0 111.403 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' L' ' 10' ' ' TYR . 53.4 mt -138.15 135.87 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.229 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.0 118.55 11.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.722 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.452 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.64 137.99 30.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.73 136.74 47.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 179.539 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.841 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.12 121.42 14.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.531 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.11 69.51 66.8 Favored Pre-proline 0 C--N 1.333 -0.14 0 CA-C-O 120.664 0.268 . . . . 0.0 111.398 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -65.5 142.86 73.47 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.399 2.066 . . . . 0.0 111.258 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -130.99 149.37 52.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.808 0.337 . . . . 0.0 111.654 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.35 -0.833 . . . . 0.0 111.097 179.795 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.502 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.742 0.306 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.28 37.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.36 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' M' ' 10' ' ' TYR . 52.3 mt -137.92 135.67 45.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -140.95 118.62 11.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.777 179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.445 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.61 137.87 30.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.227 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.816 0.341 . . . . 0.0 110.784 179.66 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.36 121.44 14.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.37 69.57 68.85 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.441 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.1 Cg_endo -65.73 143.67 75.01 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.228 1.952 . . . . 0.0 111.219 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.404 ' H ' HG21 ' M' ' 2' ' ' THR . 5.7 m-85 -131.38 147.96 52.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.834 0.349 . . . . 0.0 111.553 -179.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.403 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 5.9 m . . . . . 0 C--O 1.251 1.143 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.094 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.524 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.798 0.332 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.34 37.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.408 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.503 HD11 ' CE1' ' N' ' 10' ' ' TYR . 54.6 mt -138.13 135.81 44.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.144 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.513 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.1 118.52 11.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.77 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.456 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.09 30.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.227 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.53 136.48 47.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.917 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.773 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.4 14.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.507 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.38 69.5 68.76 Favored Pre-proline 0 C--N 1.332 -0.152 0 CA-C-O 120.646 0.26 . . . . 0.0 111.328 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.506 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 38.4 Cg_endo -66.0 143.4 72.22 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.296 1.997 . . . . 0.0 111.17 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -130.84 148.01 52.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.777 0.323 . . . . 0.0 111.554 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.436 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 5.8 m . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.058 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.524 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.771 0.32 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.06 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.0 mt -137.82 135.52 45.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.992 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.12 118.45 11.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.812 179.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.59 138.17 30.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 136.44 47.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.917 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.747 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.34 121.28 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.583 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.23 69.12 67.09 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.597 0.237 . . . . 0.0 111.225 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.516 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.5 Cg_endo -66.13 141.72 64.67 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.235 1.957 . . . . 0.0 111.128 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -128.48 149.47 50.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 111.591 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 5.0 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.394 -0.813 . . . . 0.0 111.052 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.471 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.716 0.293 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.08 37.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.342 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.442 HD11 ' CE1' ' P' ' 10' ' ' TYR . 52.3 mt -137.67 134.98 46.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.38 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.941 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.534 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.74 138.22 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.379 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.14 47.61 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 121.27 14.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.48 179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.23 67.96 64.64 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.6 Cg_endo -65.7 139.71 58.96 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.273 1.982 . . . . 0.0 111.18 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -125.53 150.75 47.15 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.873 0.368 . . . . 0.0 111.891 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 4.5 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.197 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.8 0.333 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.16 140.75 37.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.28 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -138.74 135.69 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.76 119.14 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.754 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.17 138.58 31.66 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.236 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.49 ' CD2' HD21 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.02 47.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.01 121.16 13.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.138 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.15 69.63 67.33 Favored Pre-proline 0 C--O 1.233 0.193 0 CA-C-O 120.666 0.27 . . . . 0.0 111.257 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 35.7 Cg_endo -65.29 143.36 76.72 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.291 1.994 . . . . 0.0 111.754 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.446 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 6.6 m-85 -128.9 152.02 49.0 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 0.0 111.444 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.498 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 5.2 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.366 -0.826 . . . . 0.0 110.954 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.424 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.73 0.3 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.453 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.49 37.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.386 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt -138.63 136.83 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.271 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.17 119.08 11.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.23 138.5 31.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.58 0.229 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.587 HD23 HD21 ' B' ' 7' ' ' LEU . 0.7 OUTLIER -131.57 136.51 47.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.963 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.19 14.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.265 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -126.96 70.36 74.18 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.695 0.284 . . . . 0.0 111.327 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.4 Cg_endo -66.46 144.06 71.88 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.304 2.002 . . . . 0.0 111.679 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.43 ' CE1' HD11 ' B' ' 3' ' ' ILE . 6.3 m-85 -129.74 150.72 50.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 111.338 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.501 ' HA ' ' HB2' ' K' ' 11' ' ' SER . 6.2 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.051 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.544 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.673 0.273 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.59 37.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.894 0.378 . . . . 0.0 111.436 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.0 mt -139.37 137.03 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.455 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.24 119.14 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.642 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.415 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.25 138.22 31.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.629 0.252 . . . . 0.0 111.051 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.633 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.62 136.6 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.788 0.328 . . . . 0.0 111.051 179.725 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.45 121.13 14.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.386 179.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -126.38 69.45 68.73 Favored Pre-proline 0 C--O 1.232 0.147 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.2 Cg_endo -65.53 144.57 79.61 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.412 2.075 . . . . 0.0 111.749 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' C' ' 3' ' ' ILE . 6.2 m-85 -131.29 149.5 52.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.791 0.329 . . . . 0.0 111.331 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 8.8 m . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.308 -0.853 . . . . 0.0 111.077 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.664 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.757 0.313 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.88 140.46 36.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.493 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -139.6 137.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.287 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.47 118.93 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.598 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.24 137.8 30.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.542 0.21 . . . . 0.0 111.065 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.685 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.7 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.855 0.359 . . . . 0.0 110.954 179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.06 14.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.278 179.798 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -126.6 69.54 70.48 Favored Pre-proline 0 C--O 1.232 0.174 0 CA-C-O 120.642 0.258 . . . . 0.0 111.186 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.74 144.9 79.55 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.372 2.048 . . . . 0.0 111.821 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' D' ' 3' ' ' ILE . 6.5 m-85 -131.64 149.99 52.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.369 . . . . 0.0 111.247 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.458 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 11.1 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.027 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.664 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.841 0.353 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.435 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.54 37.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.48 -179.514 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 56.7 mt -140.35 137.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.137 0.494 . . . . 0.0 111.337 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.46 119.1 11.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.759 179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 138.03 31.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.59 0.234 . . . . 0.0 111.135 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.675 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.32 136.39 48.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.798 0.332 . . . . 0.0 110.935 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.686 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.55 121.04 14.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.338 179.641 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -126.32 68.89 67.4 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.588 0.233 . . . . 0.0 111.286 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 34.5 Cg_endo -64.92 145.21 85.22 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.323 2.016 . . . . 0.0 111.882 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.465 ' CE1' HD11 ' E' ' 3' ' ' ILE . 6.4 m-85 -132.62 148.83 52.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 111.207 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.275 -0.869 . . . . 0.0 111.082 179.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.658 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.704 0.288 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.1 140.54 38.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.95 0.405 . . . . 0.0 111.612 -179.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 58.9 mt -141.14 136.46 33.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.5 119.41 11.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.701 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.26 31.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.638 0.256 . . . . 0.0 111.201 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.717 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.42 136.39 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.982 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.9 13.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.355 179.744 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -126.17 69.19 66.75 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.59 0.234 . . . . 0.0 111.368 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.538 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 35.4 Cg_endo -65.51 145.04 81.45 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.306 2.004 . . . . 0.0 111.664 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.503 ' CE1' HD11 ' F' ' 3' ' ' ILE . 6.5 m-85 -132.74 149.07 52.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.358 . . . . 0.0 111.157 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 11.4 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.133 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.466 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.498 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -137.26 140.88 41.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.674 -179.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 59.1 mt -142.64 135.53 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.355 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.54 119.35 11.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.648 179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.12 138.15 31.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.536 0.208 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.747 HD23 HD21 ' G' ' 7' ' ' LEU . 0.7 OUTLIER -131.51 136.48 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.066 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.68 120.94 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.35 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -126.26 69.25 67.55 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-O 120.684 0.278 . . . . 0.0 111.188 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.594 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 34.7 Cg_endo -65.47 145.12 81.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.384 2.056 . . . . 0.0 111.813 179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.9 m-85 -132.8 148.45 52.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.192 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB2' ' P' ' 11' ' ' SER . 14.0 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.415 -0.802 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.62 37.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.486 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 53.7 mt -139.86 137.38 38.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.91 119.17 12.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.643 179.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.2 31.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.594 0.235 . . . . 0.0 111.286 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.712 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.71 48.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.894 0.378 . . . . 0.0 110.964 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -139.98 121.12 14.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.504 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -126.89 70.91 74.4 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.254 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.594 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 40.8 Cg_endo -67.34 144.02 66.27 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.51 2.14 . . . . 0.0 111.798 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.442 ' CE1' HD11 ' H' ' 3' ' ' ILE . 7.2 m-85 -132.53 147.15 52.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 17.1 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.373 -0.822 . . . . 0.0 111.164 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.03 140.4 38.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.309 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' I' ' 8' ' ' SER . 49.6 mt -139.77 135.59 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.81 119.01 12.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.45 31.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.185 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.3 136.45 48.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 110.677 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.785 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -138.78 121.41 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.694 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.0 m -127.07 70.61 75.04 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-O 120.714 0.292 . . . . 0.0 111.364 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -65.82 142.58 70.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.485 2.123 . . . . 0.0 111.428 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.43 151.57 51.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.882 0.372 . . . . 0.0 111.628 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.783 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.476 -0.773 . . . . 0.0 111.497 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.674 0.273 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.43 37.84 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.554 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' J' ' 8' ' ' SER . 48.6 mt -138.8 136.41 43.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.297 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -141.19 118.79 11.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.783 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.455 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.51 138.21 30.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.179 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.4 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.7 OUTLIER -131.35 136.83 48.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.799 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.842 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -139.91 121.19 14.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.506 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 72.0 m -126.98 70.24 74.19 Favored Pre-proline 0 N--CA 1.456 -0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.381 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.504 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -64.67 144.7 85.04 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.363 2.042 . . . . 0.0 111.26 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.429 ' H ' HG21 ' J' ' 2' ' ' THR . 5.3 m-85 -134.26 149.77 50.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 111.491 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.783 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.385 -0.816 . . . . 0.0 111.358 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.522 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.826 0.346 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.27 37.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.437 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' K' ' 8' ' ' SER . 48.1 mt -138.3 135.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.512 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.07 118.58 11.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.683 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.431 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.46 138.42 31.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.21 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.4 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.7 OUTLIER -131.46 136.78 48.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.844 179.561 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.842 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.22 121.34 14.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.533 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 72.3 m -127.25 70.35 75.37 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-O 120.658 0.266 . . . . 0.0 111.36 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.504 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.7 Cg_endo -65.55 143.12 74.13 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.267 1.978 . . . . 0.0 111.284 179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.875 0.369 . . . . 0.0 111.553 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.453 -0.784 . . . . 0.0 111.165 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.522 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.648 0.261 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.52 140.33 37.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.307 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' L' ' 10' ' ' TYR . 48.2 mt -138.54 135.91 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.14 118.62 11.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.793 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.57 138.23 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.295 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.36 136.82 48.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.824 0.345 . . . . 0.0 110.827 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.796 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.46 14.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.653 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 70.2 m -127.38 69.63 75.0 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.673 0.273 . . . . 0.0 111.522 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.33 142.94 74.94 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.324 2.016 . . . . 0.0 111.311 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -131.4 148.94 52.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.811 0.339 . . . . 0.0 111.557 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.208 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.473 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.68 0.276 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.2 37.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.47 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' M' ' 10' ' ' TYR . 49.0 mt -138.37 135.85 44.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.197 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.4 118.62 11.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.684 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.487 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.64 138.33 30.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.26 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.408 ' HG ' ' HB2' ' F' ' 6' ' ' LEU . 0.7 OUTLIER -131.44 136.77 48.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.857 179.731 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.3 121.36 14.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 74.6 m -127.37 69.7 75.02 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-O 120.61 0.243 . . . . 0.0 111.358 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.56 142.77 72.7 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.341 2.028 . . . . 0.0 111.293 179.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -130.89 148.75 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 111.448 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.742 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.047 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.4 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.441 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' N' ' 10' ' ' TYR . 55.4 mt -138.76 135.56 43.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.273 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.24 118.58 11.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.772 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.507 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.66 138.37 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.216 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.408 ' HB2' ' HG ' ' E' ' 6' ' ' LEU . 0.7 OUTLIER -131.4 136.89 48.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.978 179.725 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.767 HD21 HD23 ' N' ' 6' ' ' LEU . 0.0 OUTLIER -140.24 121.17 14.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.604 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 73.5 m -127.01 69.46 73.42 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-O 120.583 0.23 . . . . 0.0 111.253 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.0 Cg_endo -65.92 141.61 65.49 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.359 2.039 . . . . 0.0 111.202 179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.18 150.03 50.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.891 0.377 . . . . 0.0 111.446 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.092 179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.458 ' HD1' ' H3 ' ' H' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.719 0.295 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.31 37.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.44 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 56.8 mt -138.69 135.24 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.14 118.44 11.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.634 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.52 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.58 138.59 30.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.188 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.38 136.93 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.875 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.793 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.27 121.18 14.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 75.0 m -127.61 69.49 75.72 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-O 120.664 0.269 . . . . 0.0 111.227 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.0 Cg_endo -66.31 142.18 65.37 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.278 1.985 . . . . 0.0 111.119 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -129.18 149.36 51.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.534 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.742 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.458 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.74 0.305 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.12 37.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.405 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.465 HD13 ' HB2' ' P' ' 8' ' ' SER . 52.3 mt -138.03 134.76 45.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.065 0.46 . . . . 0.0 111.229 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.87 118.32 11.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.906 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.572 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.89 138.71 30.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.364 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.47 136.43 47.92 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.766 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 121.25 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.375 179.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -127.35 68.31 72.93 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.525 0.202 . . . . 0.0 111.074 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 39.7 Cg_endo -65.4 139.94 61.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.36 2.04 . . . . 0.0 111.141 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -126.28 151.13 47.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.823 0.344 . . . . 0.0 111.769 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.672 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.072 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.814 0.34 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.59 37.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.409 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 51.8 mt -138.57 136.1 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.12 0.486 . . . . 0.0 111.494 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 118.84 11.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.762 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.28 138.62 31.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.214 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.53 136.2 47.67 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.172 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.95 121.14 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.195 179.464 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.479 ' HB2' HD13 ' A' ' 3' ' ' ILE . 73.5 m -127.48 68.91 74.5 Favored Pre-proline 0 C--O 1.231 0.113 0 CA-C-O 120.584 0.23 . . . . 0.0 111.212 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 32.8 Cg_endo -64.58 143.04 80.19 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.336 2.024 . . . . 0.0 111.834 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HB2' ' B' ' 1' ' ' TYR . 5.8 m-85 -128.68 152.27 48.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.93 0.395 . . . . 0.0 111.339 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.654 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.01 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.719 0.295 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.429 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.67 37.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.336 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 52.1 mt -139.11 136.66 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.378 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.27 119.11 11.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.616 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.08 138.65 31.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.606 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.63 136.74 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.13 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 121.19 14.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.374 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.475 ' HB2' HD13 ' B' ' 3' ' ' ILE . 74.8 m -127.67 69.4 75.84 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.637 0.256 . . . . 0.0 111.245 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.548 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 35.3 Cg_endo -65.23 144.03 79.55 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.293 1.996 . . . . 0.0 111.782 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.5 150.87 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.95 0.405 . . . . 0.0 111.283 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.933 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.697 0.284 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.69 140.65 36.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.407 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 53.5 mt -139.47 137.03 40.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.351 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.48 119.07 11.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.6 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.18 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.602 0.239 . . . . 0.0 111.037 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.625 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.32 136.58 48.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 179.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.61 120.97 13.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.483 ' HB2' HD13 ' C' ' 3' ' ' ILE . 70.8 m -127.83 69.48 76.55 Favored Pre-proline 0 CA--C 1.53 0.182 0 CA-C-O 120.62 0.247 . . . . 0.0 111.298 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 34.9 Cg_endo -65.25 144.73 81.89 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.355 2.037 . . . . 0.0 111.751 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' C' ' 3' ' ' ILE . 5.8 m-85 -131.55 150.04 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.237 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.368 -0.825 . . . . 0.0 111.036 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.767 0.317 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.65 140.65 36.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.361 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 52.3 mt -140.08 136.83 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.399 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.499 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.41 119.15 11.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.749 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' M' ' 5' ' ' ALA . . . -142.16 138.76 31.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.595 0.236 . . . . 0.0 111.073 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.674 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.61 136.71 47.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.017 179.733 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.53 121.09 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.439 ' HB2' HD13 ' D' ' 3' ' ' ILE . 75.6 m -127.87 69.19 76.39 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.672 0.272 . . . . 0.0 111.31 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 36.0 Cg_endo -65.15 145.16 83.83 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.387 2.058 . . . . 0.0 111.809 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' D' ' 3' ' ' ILE . 5.9 m-85 -132.33 149.36 52.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.385 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.775 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.407 -0.806 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.521 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.756 0.312 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.421 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.47 37.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.533 -179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 54.7 mt -140.81 136.46 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.429 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.46 119.28 11.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.669 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' L' ' 5' ' ' ALA . . . -142.06 138.77 31.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.619 0.247 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.718 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.65 48.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.978 179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.67 120.88 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 179.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.464 ' HB2' HD13 ' E' ' 3' ' ' ILE . 72.1 m -127.65 69.64 76.01 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.628 0.251 . . . . 0.0 111.298 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.527 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 35.0 Cg_endo -65.11 145.12 83.99 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.328 2.019 . . . . 0.0 111.797 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.7 m-85 -132.43 149.73 52.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.143 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.775 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.56 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.454 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.44 140.62 37.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.415 -179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 53.9 mt -141.61 136.44 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.4 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.519 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.52 119.27 11.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.712 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.07 138.27 31.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.589 0.233 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.767 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.49 136.54 48.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.361 . . . . 0.0 111.009 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.74 120.83 13.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.304 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.472 ' HB2' HD13 ' F' ' 3' ' ' ILE . 72.5 m -127.9 69.69 77.01 Favored Pre-proline 0 C--O 1.233 0.19 0 CA-C-O 120.605 0.24 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.518 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.5 Cg_endo -65.46 145.19 82.08 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.369 2.046 . . . . 0.0 111.69 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.7 m-85 -132.7 148.99 52.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.154 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.769 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.429 -0.796 . . . . 0.0 111.117 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.56 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.505 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.32 140.94 37.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.649 -179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 54.0 mt -142.59 135.63 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.155 0.503 . . . . 0.0 111.447 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.48 119.4 11.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.744 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.52 31.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.643 0.259 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.793 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.49 48.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.74 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.94 13.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.337 179.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.455 ' HB2' HD13 ' G' ' 3' ' ' ILE . 73.0 m -127.87 69.21 76.41 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-O 120.621 0.248 . . . . 0.0 111.277 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.8 Cg_endo -65.2 145.12 83.46 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.309 2.006 . . . . 0.0 111.727 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.2 m-85 -133.11 148.68 52.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.054 -179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.808 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.072 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.542 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.844 0.354 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.39 37.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.309 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 52.5 mt -139.51 137.11 40.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.211 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.09 119.15 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.642 179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.06 138.72 31.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.558 0.218 . . . . 0.0 111.236 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.753 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.9 48.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.909 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.74 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.03 121.28 14.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.502 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.465 ' HB2' HD13 ' H' ' 3' ' ' ILE . 73.7 m -128.34 71.23 79.82 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.705 0.288 . . . . 0.0 111.347 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -67.53 144.29 66.26 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.415 2.077 . . . . 0.0 111.813 179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -133.17 147.82 52.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.808 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.161 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.789 0.328 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.3 38.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.351 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.694 HD13 ' HB2' ' I' ' 8' ' ' SER . 43.3 mt -138.69 135.86 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.101 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.86 118.9 11.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.937 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.411 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.35 137.19 30.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.174 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.42 136.48 49.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.795 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.08 121.61 16.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.76 -179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.72 70.89 66.32 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.301 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.465 ' HB3' ' HG2' ' B' ' 9' ' ' PRO . 39.5 Cg_endo -66.43 142.53 65.97 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.538 2.158 . . . . 0.0 111.447 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.452 ' N ' HG21 ' I' ' 2' ' ' THR . 5.6 m-85 -133.67 151.03 51.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.38 . . . . 0.0 111.752 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.408 ' HB2' ' H ' ' B' ' 11' ' ' SER . 22.1 m . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.576 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.469 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.729 0.299 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.43 38.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.513 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.701 HD13 ' HB2' ' J' ' 8' ' ' SER . 45.8 mt -138.33 136.18 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 4' ' ' ALA . . . -140.9 118.61 11.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.819 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.433 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.6 137.7 30.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.114 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.31 136.48 48.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.83 0.348 . . . . 0.0 110.675 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.868 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.08 121.44 15.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.592 -179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.4 m -125.61 70.62 65.09 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-O 120.61 0.243 . . . . 0.0 111.372 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 36.4 Cg_endo -65.23 143.98 79.35 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.296 1.997 . . . . 0.0 111.264 179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -133.59 149.6 51.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.892 0.377 . . . . 0.0 111.666 -179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 11' ' ' SER . 17.7 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.286 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.559 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.715 0.293 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.26 37.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.503 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.684 HD13 ' HB2' ' K' ' 8' ' ' SER . 42.3 mt -137.57 136.06 46.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.09 118.55 11.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.778 179.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.65 137.75 30.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.166 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.2 136.41 48.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.803 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.39 14.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.623 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.61 70.38 64.67 Favored Pre-proline 0 CA--C 1.53 0.207 0 CA-C-O 120.573 0.225 . . . . 0.0 111.425 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.6 Cg_endo -65.11 144.34 81.38 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.152 1.901 . . . . 0.0 111.336 179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.421 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -133.34 147.96 51.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 111.618 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.406 ' HB2' ' HA ' ' D' ' 11' ' ' SER . 20.3 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.465 -0.779 . . . . 0.0 111.211 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.559 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.716 0.293 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.44 140.42 37.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.431 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' L' ' 8' ' ' SER . 47.3 mt -137.84 136.34 45.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.237 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.547 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.13 118.4 11.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.882 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.441 ' CB ' HD22 ' L' ' 6' ' ' LEU . . . -142.89 137.15 29.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.282 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.33 136.51 48.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.798 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.808 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.15 121.44 14.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.3 m -125.52 69.37 62.15 Favored Pre-proline 0 CA--C 1.53 0.186 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.427 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' E' ' 9' ' ' PRO . 36.0 Cg_endo -64.85 144.29 82.74 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.302 2.001 . . . . 0.0 111.171 179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -132.84 148.58 52.31 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 111.542 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' C' ' 11' ' ' SER . 18.3 m . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.149 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.534 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.715 0.293 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.26 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.535 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.7 mt -137.74 135.88 45.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.547 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.23 118.36 11.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.459 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.85 137.91 29.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.823 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.1 121.32 14.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.593 -179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -125.79 69.14 63.82 Favored Pre-proline 0 CA--C 1.529 0.159 0 CA-C-O 120.597 0.237 . . . . 0.0 111.323 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 37.2 Cg_endo -65.02 143.41 78.69 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.339 2.026 . . . . 0.0 111.132 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -131.25 148.88 52.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.843 0.354 . . . . 0.0 111.645 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.428 ' HB2' ' HA ' ' F' ' 11' ' ' SER . 19.9 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.033 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.511 ' HD1' ' H3 ' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.629 0.252 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.32 37.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.483 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.703 HD13 ' HB2' ' N' ' 8' ' ' SER . 52.6 mt -137.15 135.75 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.516 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.18 118.24 11.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.802 179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.463 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -143.03 137.88 29.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.2 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.49 136.8 48.21 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.789 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.19 121.33 14.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.06 69.08 65.72 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-N 116.735 -0.212 . . . . 0.0 111.325 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.9 Cg_endo -65.64 143.51 75.02 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.361 2.04 . . . . 0.0 111.169 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.98 148.51 52.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 111.558 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' G' ' 11' ' ' SER . 18.7 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.093 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.511 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.673 0.273 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.49 140.19 37.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.385 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.687 HD13 ' HB2' ' O' ' 8' ' ' SER . 46.8 mt -137.51 135.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.18 118.49 11.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.978 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.477 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.81 138.08 30.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.176 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.54 136.69 48.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.832 0.349 . . . . 0.0 110.824 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.46 121.53 14.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.551 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.32 68.65 66.89 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-O 120.603 0.239 . . . . 0.0 111.309 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 38.2 Cg_endo -65.54 143.11 74.17 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.368 2.045 . . . . 0.0 111.067 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.412 ' H ' HG21 ' O' ' 2' ' ' THR . 5.1 m-85 -130.08 147.96 51.88 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.786 0.327 . . . . 0.0 111.74 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.512 ' HB2' ' HA ' ' H' ' 11' ' ' SER . 21.9 m . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.32 -0.848 . . . . 0.0 111.093 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.489 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.719 0.295 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.0 37.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.402 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.632 HD13 ' HB2' ' P' ' 8' ' ' SER . 45.6 mt -136.99 134.86 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.175 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.71 118.23 11.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.971 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.54 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -143.0 138.0 29.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.336 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.57 136.26 47.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.76 121.25 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -126.13 68.4 64.86 Favored Pre-proline 0 C--N 1.332 -0.175 0 CA-C-O 120.532 0.206 . . . . 0.0 111.078 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.504 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 40.6 Cg_endo -65.68 141.24 65.4 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.284 1.989 . . . . 0.0 111.133 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.48 148.12 50.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.903 0.383 . . . . 0.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.512 ' HA ' ' HB2' ' G' ' 11' ' ' SER . 13.2 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.953 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.778 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.55 140.63 39.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.43 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 42.7 mt -137.9 135.9 45.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.434 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.8 118.86 11.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.782 179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' J' ' 5' ' ' ALA . . . -142.23 138.15 31.24 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.238 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' J' ' 6' ' ' LEU . 0.6 OUTLIER -131.65 136.15 47.49 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.215 179.734 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 121.14 13.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.218 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 3' ' ' ILE . 1.3 m -125.49 69.25 61.7 Favored Pre-proline 0 C--N 1.332 -0.155 0 CA-C-O 120.61 0.243 . . . . 0.0 111.193 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.491 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 33.7 Cg_endo -64.66 143.72 81.9 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.294 1.996 . . . . 0.0 111.81 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.469 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.9 m-85 -129.68 150.88 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.872 0.368 . . . . 0.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB2' ' J' ' 11' ' ' SER . 17.9 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.361 -0.828 . . . . 0.0 111.026 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.554 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.5 140.69 37.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 42.5 mt -138.59 136.82 43.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.297 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.41 119.06 11.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.609 179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' I' ' 5' ' ' ALA . . . -142.21 138.25 31.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.593 0.235 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.611 HD23 HD21 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -131.6 136.57 47.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.045 179.67 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.771 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 120.97 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.701 ' HB2' HD13 ' B' ' 3' ' ' ILE . 1.4 m -125.95 70.24 66.84 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.711 0.291 . . . . 0.0 111.26 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 36.6 Cg_endo -65.99 144.25 75.55 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.338 2.026 . . . . 0.0 111.659 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -130.64 149.81 52.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.918 0.39 . . . . 0.0 111.35 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.557 ' HB2' ' HA ' ' I' ' 11' ' ' SER . 24.0 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.565 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.806 0.336 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.421 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.68 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.439 -179.65 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 44.7 mt -138.94 137.22 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' J' ' 4' ' ' ALA . . . -141.3 119.11 11.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.663 179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' J' ' 5' ' ' ALA . . . -142.24 137.77 30.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.554 0.216 . . . . 0.0 111.003 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.613 HD23 HD21 ' C' ' 7' ' ' LEU . 0.6 OUTLIER -131.44 136.47 48.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 111.032 179.697 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.66 120.88 13.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.394 179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.684 ' HB2' HD13 ' C' ' 3' ' ' ILE . 1.2 m -125.65 69.57 63.52 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-O 120.67 0.271 . . . . 0.0 111.233 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.506 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 36.4 Cg_endo -65.38 145.04 82.23 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.271 1.98 . . . . 0.0 111.73 179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.8 m-85 -131.87 149.48 52.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.307 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.55 ' HB2' ' HA ' ' J' ' 11' ' ' SER . 35.1 m . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.96 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.565 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.792 0.33 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.65 37.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.477 -179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 45.0 mt -139.76 137.0 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.394 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' K' ' 4' ' ' ALA . . . -141.32 119.19 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.659 179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.26 137.63 30.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.594 0.235 . . . . 0.0 111.063 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.652 HD23 HD21 ' D' ' 7' ' ' LEU . 0.6 OUTLIER -131.4 136.51 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.878 0.37 . . . . 0.0 110.968 179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.724 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 121.09 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.338 179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.695 ' HB2' HD13 ' D' ' 3' ' ' ILE . 1.2 m -125.99 70.03 66.76 Favored Pre-proline 0 C--N 1.332 -0.163 0 CA-C-O 120.656 0.265 . . . . 0.0 111.162 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -65.8 144.71 78.47 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.405 2.07 . . . . 0.0 111.756 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.475 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -131.93 149.13 52.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.881 0.372 . . . . 0.0 111.264 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' K' ' 11' ' ' SER . 32.0 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.346 -0.835 . . . . 0.0 111.02 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.59 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.22 140.57 37.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.528 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 46.7 mt -140.35 137.12 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.443 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.507 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -141.45 119.24 11.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.617 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.31 137.32 30.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.553 0.216 . . . . 0.0 111.091 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.684 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.39 136.42 48.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.91 0.385 . . . . 0.0 110.914 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 121.02 14.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.387 179.761 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.692 ' HB2' HD13 ' E' ' 3' ' ' ILE . 1.3 m -126.05 70.18 67.45 Favored Pre-proline 0 C--O 1.232 0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 111.21 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.525 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 36.8 Cg_endo -66.0 145.18 78.87 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.387 2.058 . . . . 0.0 111.749 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.475 ' CE1' HD11 ' E' ' 3' ' ' ILE . 5.9 m-85 -132.58 149.01 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' L' ' 11' ' ' SER . 38.1 m . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.037 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.59 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.71 0.291 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.457 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.13 140.73 38.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.648 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -140.98 136.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.313 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.46 119.31 11.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.655 179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.34 30.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.619 0.247 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.719 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.27 47.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.82 120.87 13.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.703 ' HB2' HD13 ' F' ' 3' ' ' ILE . 1.3 m -125.81 69.81 65.12 Favored Pre-proline 0 CA--C 1.529 0.157 0 CA-C-O 120.593 0.235 . . . . 0.0 111.195 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.548 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.9 Cg_endo -65.53 145.22 81.74 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.413 2.076 . . . . 0.0 111.712 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.476 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.9 m-85 -133.29 148.26 51.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.159 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.491 ' HA ' ' HB2' ' O' ' 11' ' ' SER . 36.3 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.457 -0.782 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.573 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.747 0.308 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.504 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.05 140.77 40.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.754 -179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -142.26 135.65 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.457 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.41 119.24 11.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.622 179.497 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.51 30.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.566 0.222 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.728 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.38 136.4 48.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.52 120.88 14.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.406 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.687 ' HB2' HD13 ' G' ' 3' ' ' ILE . 1.2 m -125.94 69.47 65.45 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.736 0.303 . . . . 0.0 111.221 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.597 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 35.4 Cg_endo -65.59 145.35 81.76 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.404 2.069 . . . . 0.0 111.762 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.495 ' CE1' HD11 ' G' ' 3' ' ' ILE . 6.4 m-85 -133.68 147.95 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.099 -179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.491 ' HB2' ' HA ' ' N' ' 11' ' ' SER . 50.3 m . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.138 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.776 0.322 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.69 37.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 42.8 mt -139.09 137.4 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.239 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.541 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.99 119.22 12.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.792 179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.35 137.61 30.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.543 0.211 . . . . 0.0 111.21 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.736 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.25 136.63 48.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 0.0 110.85 179.617 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.05 121.32 14.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.632 ' HB2' HD13 ' H' ' 3' ' ' ILE . 1.2 m -126.3 70.88 70.31 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.695 0.284 . . . . 0.0 111.197 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.597 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.9 Cg_endo -66.79 144.88 73.1 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.461 2.107 . . . . 0.0 111.793 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.403 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.7 m-85 -133.76 147.07 51.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.237 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.49 ' HB2' ' HA ' ' O' ' 11' ' ' SER . 51.1 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.434 -0.794 . . . . 0.0 111.079 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.783 0.325 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.6 140.28 38.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.305 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' I' ' 8' ' ' SER . 44.8 mt -139.35 135.31 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.14 12.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.786 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.423 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -142.21 138.7 31.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.137 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' B' ' 6' ' ' LEU . 1.0 OUTLIER -131.38 136.61 48.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.74 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.807 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.24 121.55 15.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.802 -179.375 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 m -125.61 69.43 62.95 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.617 0.246 . . . . 0.0 111.395 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 36.6 Cg_endo -65.07 141.28 69.31 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.614 2.21 . . . . 0.0 111.507 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.45 152.53 51.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.901 0.382 . . . . 0.0 111.531 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.651 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.486 -0.769 . . . . 0.0 111.455 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.464 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.699 0.285 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.61 140.46 38.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.46 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' J' ' 8' ' ' SER . 47.9 mt -138.59 135.88 43.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.518 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.05 118.7 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.779 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.416 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.43 138.2 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.227 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' C' ' 6' ' ' LEU . 0.9 OUTLIER -131.41 136.51 48.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.721 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.84 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.23 121.41 14.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -125.4 69.68 61.84 Favored Pre-proline 0 CA--C 1.529 0.172 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.405 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.9 Cg_endo -64.55 142.91 79.87 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.214 1.942 . . . . 0.0 111.413 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.452 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.73 150.58 50.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.954 0.407 . . . . 0.0 111.622 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.651 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.382 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.54 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 23.0 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.689 0.28 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.39 37.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.388 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' K' ' 8' ' ' SER . 47.7 mt -138.36 135.99 44.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.553 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -141.14 118.69 11.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.854 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.458 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.6 137.78 30.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.421 ' HA ' ' HG ' ' B' ' 6' ' ' LEU . 0.8 OUTLIER -131.34 136.45 48.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.704 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.84 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.51 14.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.541 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -125.86 68.54 63.06 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-O 120.619 0.247 . . . . 0.0 111.382 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 31.7 Cg_endo -63.75 143.37 86.28 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.329 2.019 . . . . 0.0 111.36 179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.456 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.29 150.02 50.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 111.504 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.625 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.369 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.54 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.724 0.297 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.42 37.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.343 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.535 HD13 ' HB2' ' L' ' 8' ' ' SER . 48.0 mt -138.3 135.8 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.208 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -141.15 118.74 11.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.864 179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.445 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.56 138.33 30.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.271 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.452 ' HG ' ' HA ' ' E' ' 6' ' ' LEU . 0.9 OUTLIER -131.71 136.7 47.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.847 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.42 121.43 14.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.2 m -126.02 69.3 65.78 Favored Pre-proline 0 C--N 1.333 -0.147 0 CA-C-O 120.567 0.222 . . . . 0.0 111.277 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.51 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.5 Cg_endo -65.06 143.04 77.09 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.23 1.953 . . . . 0.0 111.318 179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.435 ' H ' HG21 ' L' ' 2' ' ' THR . 5.0 m-85 -133.2 149.69 52.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 111.532 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.595 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.377 -0.821 . . . . 0.0 111.219 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.692 0.282 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.02 140.24 38.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.328 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.553 HD13 ' HB2' ' M' ' 8' ' ' SER . 48.0 mt -137.53 135.54 46.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' F' ' 4' ' ' ALA . . . -141.18 118.52 11.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.813 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.414 ' HB3' HD22 ' M' ' 6' ' ' LEU . . . -142.81 138.17 30.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.262 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.452 ' HA ' ' HG ' ' D' ' 6' ' ' LEU . 0.8 OUTLIER -131.63 136.42 47.73 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.813 179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.847 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.41 121.51 14.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 41.3 m -126.14 68.82 65.81 Favored Pre-proline 0 C--O 1.233 0.189 0 CA-C-O 120.514 0.197 . . . . 0.0 111.327 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.51 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.6 Cg_endo -64.92 143.46 79.5 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.325 2.017 . . . . 0.0 111.229 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.407 ' H ' HG21 ' M' ' 2' ' ' THR . 4.8 m-85 -133.46 150.12 51.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.861 0.362 . . . . 0.0 111.395 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.596 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.437 -0.792 . . . . 0.0 111.023 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.686 0.279 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.19 37.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.356 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.534 HD13 ' HB2' ' N' ' 8' ' ' SER . 47.1 mt -137.92 135.42 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.254 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -141.2 118.55 11.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.854 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.69 138.1 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.173 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.49 136.52 47.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 110.889 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.77 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.34 121.36 14.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.625 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 47.8 m -125.84 68.63 63.07 Favored Pre-proline 0 C--O 1.233 0.191 0 CA-C-O 120.585 0.231 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.508 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 37.4 Cg_endo -65.2 142.16 72.39 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.301 2.001 . . . . 0.0 111.111 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -131.66 150.68 52.07 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.859 0.361 . . . . 0.0 111.536 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.596 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.443 -0.789 . . . . 0.0 111.039 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.519 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.5 m-85 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.22 37.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.28 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' O' ' 8' ' ' SER . 50.0 mt -137.47 135.4 46.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.501 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.28 118.58 11.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.46 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.84 138.43 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.274 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.7 136.45 47.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.914 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.77 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -140.56 121.4 14.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.587 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 38.4 m -125.85 68.08 61.89 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.764 -0.198 . . . . 0.0 111.346 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.502 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 36.9 Cg_endo -64.92 141.72 72.26 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.331 2.02 . . . . 0.0 111.185 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.89 150.33 52.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.833 0.349 . . . . 0.0 111.6 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.056 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.463 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.757 0.313 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.8 140.24 38.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.388 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' P' ' 8' ' ' SER . 47.4 mt -137.93 134.5 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.15 0.5 . . . . 0.0 111.197 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.476 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.65 118.4 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.903 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.488 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.84 138.3 30.21 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.28 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.66 136.04 47.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.05 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -140.84 121.46 14.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.503 179.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 40.2 m -125.75 67.25 59.2 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.168 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.518 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 36.9 Cg_endo -64.35 140.46 70.31 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.236 1.957 . . . . 0.0 111.264 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -128.45 151.84 48.93 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.804 0.335 . . . . 0.0 111.694 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.153 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.687 0.28 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.478 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.67 140.69 38.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.305 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 44.8 mt -138.74 135.39 43.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.519 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.89 118.81 11.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.686 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.99 138.93 32.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.188 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.487 ' HA ' ' HG ' ' J' ' 6' ' ' LEU . 0.7 OUTLIER -131.72 136.09 47.35 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.154 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.79 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.2 121.17 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.277 179.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' A' ' 3' ' ' ILE . 49.0 m -125.88 68.51 63.1 Favored Pre-proline 0 C--O 1.231 0.09 0 CA-C-O 120.612 0.244 . . . . 0.0 111.164 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.8 Cg_endo -64.02 142.98 83.52 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.336 2.024 . . . . 0.0 111.823 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.464 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -130.6 152.87 49.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 0.0 111.446 -179.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.494 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.411 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.795 0.331 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.452 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.51 37.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.225 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 45.3 mt -138.72 136.26 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.341 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.13 119.24 12.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.617 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.58 31.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.611 0.243 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.571 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.48 136.48 47.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.356 . . . . 0.0 111.038 179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.79 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.75 120.98 13.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.403 179.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' B' ' 3' ' ' ILE . 44.0 m -126.03 69.35 65.94 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-O 120.619 0.247 . . . . 0.0 111.174 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 33.6 Cg_endo -65.19 143.7 78.64 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.387 2.058 . . . . 0.0 111.717 179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.6 m-85 -131.9 151.75 51.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.947 0.403 . . . . 0.0 111.285 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.337 -0.84 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.518 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 21.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.81 0.338 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.456 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.54 37.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.328 -179.735 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 46.0 mt -139.48 136.47 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.39 119.06 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.631 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.15 138.76 31.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.616 0.246 . . . . 0.0 110.925 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.603 HD23 HD21 ' C' ' 7' ' ' LEU . 0.8 OUTLIER -131.64 136.29 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.881 0.372 . . . . 0.0 111.0 179.704 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -140.44 121.07 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.384 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' C' ' 3' ' ' ILE . 51.0 m -126.56 68.96 69.37 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 120.633 0.254 . . . . 0.0 111.184 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.549 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 32.8 Cg_endo -64.77 144.54 83.99 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.325 2.017 . . . . 0.0 111.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.465 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.7 m-85 -132.96 150.74 52.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 111.221 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.557 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.362 -0.828 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.578 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.435 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.49 37.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.339 -179.659 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 46.2 mt -139.48 136.55 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.373 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.538 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.49 119.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.751 179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.23 137.87 31.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.571 0.224 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.667 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.47 136.42 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.971 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -140.57 121.08 14.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.341 179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.535 ' HB2' HD13 ' D' ' 3' ' ' ILE . 48.2 m -125.72 68.78 62.47 Favored Pre-proline 0 N--CA 1.456 -0.159 0 CA-C-O 120.667 0.27 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 31.7 Cg_endo -64.5 144.72 85.98 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.393 2.062 . . . . 0.0 111.696 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.526 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.6 m-85 -134.11 150.72 51.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.244 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.627 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.36 -0.829 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.578 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.752 0.31 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.433 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.78 37.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.546 -179.477 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 48.7 mt -140.58 136.46 35.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.404 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.37 119.25 11.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.66 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.11 138.13 31.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.58 0.229 . . . . 0.0 111.052 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.671 HD23 HD21 ' E' ' 7' ' ' LEU . 0.7 OUTLIER -131.36 136.22 47.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.922 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.92 120.96 13.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.553 ' HB2' HD13 ' E' ' 3' ' ' ILE . 34.5 m -126.2 68.56 65.73 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-O 120.639 0.257 . . . . 0.0 111.183 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 31.3 Cg_endo -64.33 144.95 87.51 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.314 2.01 . . . . 0.0 111.819 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.479 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.7 m-85 -134.19 150.56 51.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 0.0 111.203 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.627 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.38 -0.819 . . . . 0.0 111.14 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.649 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.465 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.2 140.56 37.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.433 -179.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -140.98 136.68 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.152 0.501 . . . . 0.0 111.502 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.57 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -141.58 119.12 11.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.648 179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.86 31.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.556 0.217 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.74 HD23 HD21 ' F' ' 7' ' ' LEU . 0.8 OUTLIER -131.54 136.26 47.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.072 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.64 120.93 13.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.526 179.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.534 ' HB2' HD13 ' F' ' 3' ' ' ILE . 38.5 m -125.97 68.63 64.12 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-O 120.666 0.27 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.587 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 31.6 Cg_endo -64.23 145.18 88.42 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.364 2.043 . . . . 0.0 111.724 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.47 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 5.7 m-85 -134.6 149.89 50.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.26 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.649 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 22.2 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.754 0.312 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.518 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -138.89 140.75 38.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.65 -179.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -141.59 136.03 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.436 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -141.48 119.14 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.749 179.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.97 138.38 31.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.657 0.265 . . . . 0.0 111.224 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.746 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.46 136.13 47.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.908 179.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.696 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -140.7 120.75 13.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.454 179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' G' ' 3' ' ' ILE . 41.2 m -125.77 68.51 62.26 Favored Pre-proline 0 C--O 1.232 0.163 0 CA-C-O 120.651 0.263 . . . . 0.0 111.201 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.587 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.28 145.23 88.25 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.333 2.022 . . . . 0.0 111.646 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.439 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 5.8 m-85 -135.48 149.61 49.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.093 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.063 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.508 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 22.7 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.771 0.319 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.65 38.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.364 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -139.89 137.23 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.382 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.554 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.16 119.42 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.7 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.94 138.85 32.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.611 0.243 . . . . 0.0 111.276 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.732 HD23 HD21 ' H' ' 7' ' ' LEU . 0.6 OUTLIER -131.43 136.52 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.863 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.696 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.14 121.12 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.396 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' H' ' 3' ' ' ILE . 47.4 m -126.57 70.04 70.95 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.307 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 38.3 Cg_endo -66.6 143.22 67.63 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.408 2.072 . . . . 0.0 111.868 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -134.34 148.51 50.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.68 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.539 -0.743 . . . . 0.0 111.128 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.35 37.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.324 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mt -138.39 135.32 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.093 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.88 119.06 12.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' I' ' 6' ' ' LEU . . . -142.24 137.74 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.236 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.5 136.44 48.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.852 0.358 . . . . 0.0 110.578 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.816 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -139.48 121.48 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.774 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.43 71.63 71.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-O 120.756 0.312 . . . . 0.0 111.319 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 37.3 Cg_endo -65.83 142.94 71.63 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.525 2.15 . . . . 0.0 111.5 179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' N ' HG21 ' I' ' 2' ' ' THR . 5.3 m-85 -134.65 151.48 51.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 111.618 -179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.531 -0.747 . . . . 0.0 111.539 179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.44 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.36 37.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 111.515 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.4 mt -138.16 135.25 44.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.229 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -141.08 118.9 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.9 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.456 ' HB3' HD22 ' J' ' 6' ' ' LEU . . . -142.32 138.29 31.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.267 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.22 136.5 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.734 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.82 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.35 121.5 14.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.663 -179.619 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.09 70.62 68.49 Favored Pre-proline 0 CA--C 1.529 0.154 0 CA-C-O 120.627 0.251 . . . . 0.0 111.28 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 33.6 Cg_endo -64.51 143.89 83.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.334 2.023 . . . . 0.0 111.349 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' J' ' 2' ' ' THR . 5.1 m-85 -134.86 149.52 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 111.621 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.756 ' HA ' ' HB3' ' A' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.388 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 22.0 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.587 0.232 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.46 37.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.47 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 50.9 mt -137.69 135.13 46.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' B' ' 4' ' ' ALA . . . -141.23 118.66 11.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.864 179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' K' ' 6' ' ' LEU . . . -142.4 138.37 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.261 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.5 48.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.825 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.39 121.33 14.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 8.6 m -126.32 69.68 68.63 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.597 0.237 . . . . 0.0 111.362 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 33.4 Cg_endo -64.1 144.37 87.01 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.419 2.079 . . . . 0.0 111.407 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' K' ' 2' ' ' THR . 5.0 m-85 -134.23 149.62 50.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.916 0.388 . . . . 0.0 111.557 -179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.701 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.417 -0.802 . . . . 0.0 111.187 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.562 ' HD1' ' H3 ' ' E' ' 1' ' ' TYR . 22.1 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.67 0.272 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.16 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.439 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 50.7 mt -137.65 135.03 46.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' E' ' 4' ' ' ALA . . . -141.3 118.79 11.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.848 179.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.465 ' HB3' HD22 ' L' ' 6' ' ' LEU . . . -142.47 138.22 30.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.235 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.3 136.54 48.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.825 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -140.54 121.35 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.673 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.3 70.0 68.98 Favored Pre-proline 0 CA--C 1.53 0.184 0 CA-C-O 120.634 0.254 . . . . 0.0 111.329 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.529 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 34.7 Cg_endo -64.71 143.26 80.08 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.338 2.026 . . . . 0.0 111.39 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.442 ' H ' HG21 ' L' ' 2' ' ' THR . 4.9 m-85 -132.71 148.46 52.34 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.832 0.349 . . . . 0.0 111.787 -179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.673 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.34 -0.838 . . . . 0.0 111.198 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' D' ' 1' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.751 0.31 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.42 37.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.453 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.428 HD11 ' CE1' ' M' ' 10' ' ' TYR . 51.8 mt -137.77 134.98 45.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.517 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -141.31 118.77 11.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.837 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' M' ' 6' ' ' LEU . . . -142.52 138.46 30.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.316 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.39 136.4 48.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.8 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -140.48 121.47 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.63 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -126.57 69.89 70.79 Favored Pre-proline 0 CA--C 1.529 0.145 0 CA-C-N 116.747 -0.206 . . . . 0.0 111.372 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.2 Cg_endo -64.75 143.23 79.74 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.328 2.019 . . . . 0.0 111.443 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -132.28 148.28 52.44 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.894 0.378 . . . . 0.0 111.585 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.67 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.37 -0.824 . . . . 0.0 111.157 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.765 0.317 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.54 140.61 37.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.361 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.46 HD11 ' CE1' ' N' ' 10' ' ' TYR . 45.6 mt -137.98 135.14 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' G' ' 4' ' ' ALA . . . -141.24 118.68 11.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.451 ' CB ' HD22 ' N' ' 6' ' ' LEU . . . -142.54 138.04 30.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.288 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.56 136.36 47.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.818 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -140.69 121.56 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.645 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.9 m -126.16 69.37 66.97 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.177 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.474 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 35.9 Cg_endo -64.63 142.4 77.12 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 0.0 111.269 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -130.78 149.09 52.58 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.897 0.38 . . . . 0.0 111.564 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.674 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.335 -0.84 . . . . 0.0 111.198 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.425 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 22.3 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.663 0.268 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.37 140.31 37.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.411 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' O' ' 10' ' ' TYR . 52.3 mt -137.8 135.62 45.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.561 ' HA ' ' O ' ' F' ' 4' ' ' ALA . . . -141.37 118.74 11.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.773 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.498 ' CB ' HD22 ' O' ' 6' ' ' LEU . . . -142.6 137.84 30.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.324 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.38 136.37 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.984 179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.771 HD21 HD23 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -140.43 121.59 14.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.69 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 8.3 m -126.62 69.12 70.03 Favored Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.562 0.22 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.487 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.1 Cg_endo -64.86 142.72 77.01 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.367 2.045 . . . . 0.0 111.255 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.58 148.78 52.42 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.877 0.37 . . . . 0.0 111.658 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.674 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.314 -0.851 . . . . 0.0 111.022 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.405 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.736 0.303 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.37 37.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' P' ' 10' ' ' TYR . 54.3 mt -137.45 134.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.066 0.46 . . . . 0.0 111.277 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.79 118.55 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.997 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.521 ' CB ' HD22 ' P' ' 6' ' ' LEU . . . -142.83 138.43 30.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.425 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.42 136.06 47.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -141.19 121.52 13.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.516 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -126.39 68.25 66.52 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.198 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 36.1 Cg_endo -63.99 140.74 74.09 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.341 2.027 . . . . 0.0 111.107 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -128.18 149.45 50.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.841 0.353 . . . . 0.0 111.764 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.093 179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.764 0.316 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.482 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.64 37.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.406 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 49.3 mt -137.61 135.03 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.34 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' J' ' 4' ' ' ALA . . . -140.85 119.03 12.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.77 179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.02 138.64 31.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.259 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.532 HD23 HD21 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -131.66 135.54 46.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.171 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.759 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -141.15 121.18 13.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.345 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 5.2 m -126.27 69.42 67.85 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-O 120.582 0.229 . . . . 0.0 111.329 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.574 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 31.3 Cg_endo -63.93 144.45 88.11 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.81 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.44 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 5.6 m-85 -131.16 151.29 51.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.376 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.534 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.975 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.715 0.293 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.43 140.77 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 111.419 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 49.8 mt -138.18 136.05 44.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.324 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.474 ' HA ' ' O ' ' K' ' 4' ' ' ALA . . . -141.18 119.22 11.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.618 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' K' ' 5' ' ' ALA . . . -142.27 138.22 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.622 0.248 . . . . 0.0 111.144 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.604 HD23 HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -131.45 136.44 47.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.623 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -140.8 121.08 13.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.473 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.6 m -126.39 70.12 69.78 Favored Pre-proline 0 C--O 1.231 0.118 0 CA-C-O 120.721 0.296 . . . . 0.0 111.24 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.574 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 34.1 Cg_endo -64.82 145.05 85.41 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.407 2.071 . . . . 0.0 111.783 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.542 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 5.5 m-85 -132.71 150.04 52.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.891 0.377 . . . . 0.0 111.269 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.721 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.374 -0.822 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.53 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.749 0.309 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.58 140.76 37.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.396 -179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 50.5 mt -138.57 136.34 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.331 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' L' ' 4' ' ' ALA . . . -141.45 119.31 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.692 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' L' ' 5' ' ' ALA . . . -142.35 138.03 30.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.545 0.212 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.642 HD23 HD21 ' C' ' 7' ' ' LEU . 0.7 OUTLIER -131.43 136.47 48.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.872 0.368 . . . . 0.0 110.87 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.686 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 121.01 13.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.407 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 5.8 m -126.18 70.05 68.21 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.617 0.246 . . . . 0.0 111.11 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 35.2 Cg_endo -65.19 144.61 81.87 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.336 2.024 . . . . 0.0 111.765 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 5.6 m-85 -132.32 149.71 52.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 111.31 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.721 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.257 -0.878 . . . . 0.0 111.065 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.558 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.683 0.277 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.442 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.83 140.71 36.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.515 -179.766 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -138.86 136.59 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' M' ' 4' ' ' ALA . . . -141.53 119.1 11.63 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.564 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . 0.413 ' HA ' ' O ' ' K' ' 5' ' ' ALA . . . -142.2 137.82 31.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.563 0.22 . . . . 0.0 111.098 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.64 HD23 HD21 ' D' ' 7' ' ' LEU . 0.7 OUTLIER -131.42 136.34 47.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.813 0.34 . . . . 0.0 110.834 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.78 120.99 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -126.37 70.13 69.7 Favored Pre-proline 0 CA--C 1.528 0.123 0 CA-C-O 120.591 0.234 . . . . 0.0 111.202 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.518 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 34.3 Cg_endo -65.21 145.22 83.66 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.368 2.045 . . . . 0.0 111.62 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.463 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 5.7 m-85 -133.28 149.01 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.177 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.706 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.033 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.576 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 21.2 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.814 0.34 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' F' ' 9' ' ' PRO . 0.2 OUTLIER -139.71 140.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.57 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 53.1 mt -139.45 136.5 40.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.551 ' O ' ' HA ' ' L' ' 4' ' ' ALA . . . -141.45 119.42 11.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.624 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.2 137.68 30.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.548 0.214 . . . . 0.0 111.176 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.696 HD23 HD21 ' E' ' 7' ' ' LEU . 0.6 OUTLIER -131.13 136.11 48.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.78 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -140.83 120.96 13.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.422 179.673 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 6.0 m -126.3 69.72 68.51 Favored Pre-proline 0 C--O 1.232 0.166 0 CA-C-O 120.625 0.25 . . . . 0.0 111.181 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 31.7 Cg_endo -64.79 145.12 85.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.325 2.017 . . . . 0.0 111.758 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 5.6 m-85 -133.74 148.73 51.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.055 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.71 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.377 -0.821 . . . . 0.0 110.987 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.576 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.748 0.309 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.57 140.85 37.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.686 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 55.5 mt -140.85 136.04 34.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.101 0.477 . . . . 0.0 111.457 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.542 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -141.55 119.23 11.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.693 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.74 138.34 32.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.566 0.222 . . . . 0.0 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.714 HD23 HD21 ' F' ' 7' ' ' LEU . 0.6 OUTLIER -131.5 136.26 47.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.019 179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -140.86 120.96 13.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.442 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -126.29 69.1 67.49 Favored Pre-proline 0 CA--C 1.529 0.158 0 CA-C-O 120.617 0.246 . . . . 0.0 111.354 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 30.6 Cg_endo -64.14 145.27 88.97 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.351 2.034 . . . . 0.0 111.889 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.46 ' CE1' HD11 ' F' ' 3' ' ' ILE . 5.8 m-85 -133.92 148.4 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.35 . . . . 0.0 111.151 -179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.737 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.384 -0.817 . . . . 0.0 111.155 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.566 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.746 0.308 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.47 140.8 37.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.764 -179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 57.6 mt -141.07 135.89 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.507 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -141.62 119.51 11.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.663 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.8 137.81 31.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.672 0.272 . . . . 0.0 111.226 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.771 HD23 HD21 ' G' ' 7' ' ' LEU . 0.6 OUTLIER -131.27 136.19 47.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.864 179.693 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -141.12 120.89 13.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.363 179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 6.1 m -126.32 69.75 68.73 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-O 120.718 0.294 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.628 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 30.9 Cg_endo -64.78 145.22 85.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.386 2.057 . . . . 0.0 111.791 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.492 ' CE1' HD11 ' G' ' 3' ' ' ILE . 5.9 m-85 -134.57 148.13 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.071 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.748 ' HA ' ' HB3' ' P' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.02 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.711 0.291 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.44 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 51.0 mt -139.45 137.1 40.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.281 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -141.22 119.56 12.22 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.746 179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.91 138.19 31.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.789 -0.187 . . . . 0.0 111.338 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.699 HD23 HD21 ' H' ' 7' ' ' LEU . 0.7 OUTLIER -131.24 136.34 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 110.847 179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -140.33 121.32 14.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.586 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 7.5 m -127.26 71.96 76.74 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-O 120.739 0.304 . . . . 0.0 111.288 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.628 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.7 Cg_endo -67.41 143.28 62.91 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.387 2.058 . . . . 0.0 112.012 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.424 ' CE1' HD11 ' H' ' 3' ' ' ILE . 6.4 m-85 -132.93 147.25 52.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.748 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.15 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 120.703 0.287 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.438 ' HB ' HG23 ' B' ' 2' ' ' THR . 0.2 OUTLIER -139.13 136.15 34.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.451 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mt -143.05 132.31 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.752 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' ' HA ' ' B' ' 4' ' ' ALA . . . -140.11 119.06 12.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.079 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' I' ' 6' ' ' LEU . . . -141.92 126.78 18.19 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.607 ' HG ' ' HB2' ' B' ' 6' ' ' LEU . 1.7 pp -129.46 136.33 49.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.421 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.634 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -123.27 121.79 36.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.305 -179.037 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -117.92 72.62 8.75 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.675 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.578 ' HA ' ' HD2' ' B' ' 9' ' ' PRO . 32.8 Cg_exo -61.66 143.31 96.48 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.721 2.281 . . . . 0.0 112.14 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' N ' HG21 ' I' ' 2' ' ' THR . 1.8 m-85 -135.87 139.48 43.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.424 ' OXT' ' HB3' ' B' ' 11' ' ' SER . 10.8 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.606 ' HB2' ' HE2' ' I' ' 10' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.707 0.289 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.438 HG23 ' HB ' ' A' ' 2' ' ' THR . 0.2 OUTLIER -139.42 137.51 35.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.366 . . . . 0.0 111.512 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.799 HD12 ' HE1' ' I' ' 10' ' ' TYR . 3.4 mt -143.04 132.68 21.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' C' ' 4' ' ' ALA . . . -140.11 118.79 12.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.096 179.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 1.081 ' HB1' HD21 ' J' ' 6' ' ' LEU . . . -141.92 124.77 16.07 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -179.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.607 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 1.7 pp -128.04 136.22 50.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.875 HD12 ' HB1' ' I' ' 4' ' ' ALA . 0.0 OUTLIER -123.44 121.43 35.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.327 -179.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -117.61 72.59 7.85 Favored Pre-proline 0 CA--C 1.53 0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.881 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.645 ' HA ' ' HD2' ' C' ' 9' ' ' PRO . 35.8 Cg_exo -60.81 145.05 99.58 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.687 2.258 . . . . 0.0 112.099 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.556 ' N ' HG21 ' J' ' 2' ' ' THR . 1.7 m-85 -137.32 138.27 39.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.863 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.452 ' HB2' ' OG1' ' J' ' 2' ' ' THR . 11.9 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.161 -0.923 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.542 ' HB2' ' HE2' ' J' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . 0.515 ' HB ' HG23 ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.7 137.23 34.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.414 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.757 HD12 ' HE1' ' J' ' 10' ' ' TYR . 4.0 mt -143.09 132.52 21.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.818 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.504 ' O ' ' HA ' ' D' ' 4' ' ' ALA . . . -140.2 118.81 12.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.137 179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 1.042 ' HB1' HD21 ' K' ' 6' ' ' LEU . . . -141.85 125.14 16.48 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' D' ' 6' ' ' LEU . 1.6 pp -128.32 136.08 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.587 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.9 HD12 ' HB1' ' J' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.64 36.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.329 -179.188 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -118.0 72.27 8.77 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.944 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.645 ' HD2' ' HA ' ' B' ' 9' ' ' PRO . 38.4 Cg_exo -60.37 145.41 98.7 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.732 2.288 . . . . 0.0 112.091 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.571 ' N ' HG21 ' K' ' 2' ' ' THR . 1.7 m-85 -137.56 136.82 37.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.405 ' HB3' ' OXT' ' B' ' 11' ' ' SER . 9.9 t . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.556 ' HB2' ' HE2' ' K' ' 10' ' ' TYR . 12.9 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.657 0.265 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . 0.515 HG23 ' HB ' ' C' ' 2' ' ' THR . 0.2 OUTLIER -139.64 137.51 35.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.772 HD12 ' HE1' ' K' ' 10' ' ' TYR . 4.9 mt -143.22 132.54 20.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' C' ' 4' ' ' ALA . . . -140.23 118.7 12.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.041 179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 1.06 ' HB1' HD21 ' L' ' 6' ' ' LEU . . . -141.93 126.17 17.51 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' E' ' 6' ' ' LEU . 1.6 pp -129.51 136.25 49.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.625 179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.961 HD12 ' HB1' ' K' ' 4' ' ' ALA . 0.0 OUTLIER -123.48 121.69 36.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.301 -179.208 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 56.8 m -118.23 72.14 9.32 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.848 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.619 ' HD2' ' HA ' ' C' ' 9' ' ' PRO . 35.0 Cg_exo -60.9 145.31 99.24 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.714 2.276 . . . . 0.0 112.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.535 ' N ' HG21 ' L' ' 2' ' ' THR . 1.7 m-85 -136.91 137.12 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.939 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.922 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.413 ' HB2' ' HE2' ' L' ' 10' ' ' TYR . 14.0 m-85 . . . . . 0 N--CA 1.489 1.505 0 CA-C-O 120.807 0.336 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . 0.45 HG23 ' HB ' ' D' ' 2' ' ' THR . 0.2 OUTLIER -139.54 137.4 35.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.353 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.705 HD12 ' HE1' ' L' ' 10' ' ' TYR . 4.6 mt -143.11 132.38 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . 0.481 ' HA ' ' O ' ' D' ' 4' ' ' ALA . . . -140.14 118.51 12.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.063 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 1.011 ' HB1' HD21 ' M' ' 6' ' ' LEU . . . -142.04 124.94 16.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.512 ' HB2' ' HG ' ' D' ' 6' ' ' LEU . 1.6 pp -128.67 136.22 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.631 179.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.928 HD12 ' HB1' ' L' ' 4' ' ' ALA . 0.0 OUTLIER -123.68 121.46 35.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.205 -179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 56.2 m -118.11 72.62 9.28 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.822 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.606 ' HD2' ' HA ' ' D' ' 9' ' ' PRO . 31.6 Cg_exo -61.39 145.23 98.39 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.81 2.34 . . . . 0.0 112.077 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.519 ' H ' HG21 ' M' ' 2' ' ' THR . 1.7 m-85 -136.16 137.11 40.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.063 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 9.8 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.502 ' HB2' ' HE2' ' M' ' 10' ' ' TYR . 13.7 m-85 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.733 0.301 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . 0.441 HG23 ' HB ' ' E' ' 2' ' ' THR . 0.2 OUTLIER -139.5 137.46 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.389 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.728 HD12 ' HE1' ' M' ' 10' ' ' TYR . 5.0 mt -143.31 132.51 20.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.983 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' E' ' 4' ' ' ALA . . . -140.25 118.55 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.118 179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 1.067 ' HB1' HD21 ' N' ' 6' ' ' LEU . . . -141.94 125.1 16.35 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.578 ' HG ' ' HB2' ' G' ' 6' ' ' LEU . 1.7 pp -128.72 136.04 50.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.51 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' M' ' 4' ' ' ALA . 0.0 OUTLIER -123.58 121.58 35.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.157 -179.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -118.2 72.28 9.33 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.787 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.58 ' HD2' ' HA ' ' E' ' 9' ' ' PRO . 29.5 Cg_exo -61.31 145.09 98.74 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.786 2.324 . . . . 0.0 111.934 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.58 ' H ' HG21 ' N' ' 2' ' ' THR . 1.6 m-85 -135.77 135.94 40.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.162 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.485 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 9.3 t . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.417 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 13.8 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . 0.497 ' HB ' HG23 ' H' ' 2' ' ' THR . 0.2 OUTLIER -139.36 137.71 35.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.387 -179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.599 ' HB ' HG12 ' F' ' 3' ' ' ILE . 5.3 mt -142.99 132.24 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' H' ' 4' ' ' ALA . . . -140.09 118.24 11.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.032 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 1.053 ' HB1' HD21 ' O' ' 6' ' ' LEU . . . -142.26 123.94 15.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.578 ' HB2' ' HG ' ' F' ' 6' ' ' LEU . 1.7 pp -128.48 136.18 50.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.489 178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.906 HD12 ' HB1' ' N' ' 4' ' ' ALA . 0.0 OUTLIER -123.49 121.66 36.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.223 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -117.98 72.1 8.6 Favored Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.72 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HB2' ' N' ' 4' ' ' ALA . 28.5 Cg_exo -61.5 145.2 98.12 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.609 2.206 . . . . 0.0 111.874 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.595 ' H ' HG21 ' O' ' 2' ' ' THR . 1.6 m-85 -135.5 136.33 41.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 10.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.842 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.599 0.237 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . 0.497 HG23 ' HB ' ' G' ' 2' ' ' THR . 0.2 OUTLIER -139.59 137.92 35.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.278 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.565 HD11 ' CE1' ' P' ' 10' ' ' TYR . 5.2 mt -142.97 131.93 20.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.004 0.431 . . . . 0.0 111.232 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' G' ' 4' ' ' ALA . . . -140.27 118.37 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.353 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.967 ' HB1' HD21 ' P' ' 6' ' ' LEU . . . -142.51 124.12 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.942 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.569 ' HB2' ' HG ' ' G' ' 6' ' ' LEU . 1.7 pp -127.97 135.99 50.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.375 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.92 HD12 ' HB1' ' O' ' 4' ' ' ALA . 0.0 OUTLIER -123.75 121.62 35.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.161 -179.362 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 57.7 m -118.38 71.66 9.43 Favored Pre-proline 0 CA--C 1.529 0.17 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB2' ' O' ' 4' ' ' ALA . 27.2 Cg_exo -61.56 144.95 98.1 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.67 2.247 . . . . 0.0 111.799 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -134.45 135.57 42.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.941 0.4 . . . . 0.0 111.358 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.54 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 8.6 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.745 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . 0.439 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 13.6 m-85 . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.697 0.284 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.547 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.14 35.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.142 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' J' ' 3' ' ' ILE . 7.5 mt -143.56 133.22 20.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 111.513 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . 0.875 ' HB1' HD12 ' B' ' 7' ' ' LEU . . . -140.79 118.66 11.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.573 179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.76 121.46 12.6 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 5' ' ' ALA . 1.8 pp -125.78 136.59 53.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.471 178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' I' ' 9' ' ' PRO . 0.0 OUTLIER -123.06 122.39 38.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.372 -179.055 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 47.6 m -116.98 72.16 5.87 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.73 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' I' ' 7' ' ' LEU . 35.3 Cg_exo -59.95 145.4 98.43 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.642 2.228 . . . . 0.0 112.259 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.799 ' HE1' HD12 ' B' ' 3' ' ' ILE . 1.9 m-85 -136.03 138.32 42.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.919 0.39 . . . . 0.0 111.353 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 8.9 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.818 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.439 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 13.1 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.645 0.259 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.556 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.61 138.3 36.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.176 179.862 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . 0.638 ' HB ' HG12 ' K' ' 3' ' ' ILE . 7.4 mt -143.77 133.75 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.303 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . 0.9 ' HB1' HD12 ' C' ' 7' ' ' LEU . . . -140.7 118.86 11.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.244 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.67 119.71 11.37 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 1.081 HD21 ' HB1' ' B' ' 5' ' ' ALA . 1.8 pp -124.95 136.4 53.72 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.912 0.387 . . . . 0.0 110.723 178.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.51 ' C ' ' HD3' ' J' ' 9' ' ' PRO . 0.0 OUTLIER -122.22 122.21 38.62 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.351 -179.165 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.8 m -116.88 72.08 5.69 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.652 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.51 ' HD3' ' C ' ' J' ' 7' ' ' LEU . 39.3 Cg_exo -60.46 145.49 98.63 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.656 2.237 . . . . 0.0 112.201 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.757 ' HE1' HD12 ' C' ' 3' ' ' ILE . 1.9 m-85 -136.83 137.91 40.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.125 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 9.1 t . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.772 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.506 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 13.0 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.738 0.304 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.571 HG21 ' N ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 138.11 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . 0.638 HG12 ' HB ' ' J' ' 3' ' ' ILE . 7.3 mt -143.73 133.72 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.948 0.404 . . . . 0.0 111.22 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . 0.961 ' HB1' HD12 ' D' ' 7' ' ' LEU . . . -140.57 118.76 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.6 120.53 12.03 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 1.042 HD21 ' HB1' ' C' ' 5' ' ' ALA . 1.8 pp -125.81 136.21 52.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.873 0.368 . . . . 0.0 110.636 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.502 ' C ' ' HD3' ' K' ' 9' ' ' PRO . 0.0 OUTLIER -122.37 122.3 38.7 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.491 -179.224 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 58.5 m -117.07 71.86 5.95 Favored Pre-proline 0 CA--C 1.53 0.208 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.876 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' C ' ' K' ' 7' ' ' LEU . 39.1 Cg_exo -60.68 145.51 98.77 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.639 2.226 . . . . 0.0 112.286 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.772 ' HE1' HD12 ' D' ' 3' ' ' ILE . 1.9 m-85 -136.69 138.35 40.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.6 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 10.1 t . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.506 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.753 0.311 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.548 ' HB ' HG23 ' K' ' 2' ' ' THR . 0.2 OUTLIER -139.86 137.95 35.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.099 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . 0.683 ' HB ' HG12 ' M' ' 3' ' ' ILE . 7.7 mt -143.62 133.75 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.157 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . 0.928 ' HB1' HD12 ' E' ' 7' ' ' LEU . . . -140.76 118.67 11.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.299 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.57 122.13 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 1.06 HD21 ' HB1' ' D' ' 5' ' ' ALA . 1.8 pp -127.27 136.33 51.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.663 178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.501 ' C ' ' HD3' ' L' ' 9' ' ' PRO . 0.0 OUTLIER -122.63 122.14 38.11 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.395 -179.187 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 58.8 m -117.39 72.23 7.02 Favored Pre-proline 0 CA--C 1.53 0.201 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.719 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' L' ' 7' ' ' LEU . 39.6 Cg_exo -60.65 145.58 98.62 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.74 2.293 . . . . 0.0 112.241 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.705 ' HE1' HD12 ' E' ' 3' ' ' ILE . 1.8 m-85 -137.06 137.28 39.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.007 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.52 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 9.2 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.794 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.582 HG23 ' HB ' ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.81 138.04 35.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . 0.683 HG12 ' HB ' ' L' ' 3' ' ' ILE . 7.9 mt -143.55 134.36 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.308 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.61 118.76 11.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.348 179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.63 121.93 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 1.011 HD21 ' HB1' ' E' ' 5' ' ' ALA . 1.7 pp -127.65 136.11 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.609 178.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.505 ' C ' ' HD3' ' M' ' 9' ' ' PRO . 0.0 OUTLIER -122.86 121.99 37.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.438 -179.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.0 72.34 5.99 Favored Pre-proline 0 CA--C 1.53 0.178 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.796 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.56 ' HD2' ' HA ' ' N' ' 9' ' ' PRO . 36.0 Cg_exo -61.06 145.36 99.07 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.705 2.27 . . . . 0.0 112.251 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.728 ' HE1' HD12 ' F' ' 3' ' ' ILE . 1.9 m-85 -137.19 137.45 39.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.975 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.474 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 13.0 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 12.8 m-85 . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.7 0.286 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.634 HG23 ' HB ' ' O' ' 2' ' ' THR . 0.2 OUTLIER -140.03 137.8 34.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.166 179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . 0.629 HG12 ' HB ' ' M' ' 3' ' ' ILE . 7.4 mt -143.44 133.67 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.205 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.906 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.52 118.73 12.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 179.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.61 125.09 15.69 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 1.067 HD21 ' HB1' ' F' ' 5' ' ' ALA . 1.8 pp -130.38 136.0 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 0.0 110.557 178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.509 ' C ' ' HD3' ' N' ' 9' ' ' PRO . 0.0 OUTLIER -122.96 121.97 37.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.48 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 57.1 m -117.27 71.98 6.56 Favored Pre-proline 0 CA--C 1.531 0.213 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.629 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.602 ' HD2' ' HA ' ' O' ' 9' ' ' PRO . 39.5 Cg_exo -60.6 145.51 98.69 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.66 2.24 . . . . 0.0 112.208 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.591 ' HE1' HD12 ' G' ' 3' ' ' ILE . 1.7 m-85 -137.25 137.62 39.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.442 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 10.6 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 12.6 m-85 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.69 0.281 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.634 ' HB ' HG23 ' N' ' 2' ' ' THR . 0.2 OUTLIER -139.9 137.87 35.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.286 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . 0.761 ' HB ' HG12 ' P' ' 3' ' ' ILE . 7.9 mt -143.56 134.11 21.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.17 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.92 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.38 118.48 11.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.441 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.87 124.66 15.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 1.053 HD21 ' HB1' ' G' ' 5' ' ' ALA . 1.8 pp -130.55 136.1 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.753 0.311 . . . . 0.0 110.594 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.55 HD11 HD22 ' P' ' 7' ' ' LEU . 0.0 OUTLIER -122.98 121.91 37.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.446 -179.176 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -116.92 71.04 5.3 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.741 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.682 ' HD2' ' HA ' ' P' ' 9' ' ' PRO . 33.9 Cg_exo -59.7 145.54 97.87 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.585 2.19 . . . . 0.0 112.376 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' G' ' 3' ' ' ILE . 1.8 m-85 -137.77 137.62 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.483 ' HB3' ' OXT' ' P' ' 11' ' ' SER . 11.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.644 0.259 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.74 137.42 35.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.372 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . 0.761 HG12 ' HB ' ' O' ' 3' ' ' ILE . 8.2 mt -143.57 133.43 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.501 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -139.19 118.13 12.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.241 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -142.92 125.8 16.14 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.967 HD21 ' HB1' ' H' ' 5' ' ' ALA . 1.9 pp -131.21 136.28 48.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.362 . . . . 0.0 110.433 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.55 HD22 HD11 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -121.64 122.14 38.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.367 -179.04 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 58.6 m -117.54 73.09 7.91 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.682 ' HA ' ' HD2' ' O' ' 9' ' ' PRO . 27.6 Cg_exo -62.33 144.93 95.89 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.766 2.311 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' H' ' 3' ' ' ILE . 1.8 m-85 -137.9 137.93 38.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.716 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.483 ' OXT' ' HB3' ' O' ' 11' ' ' SER . 11.9 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.256 -0.878 . . . . 0.0 111.017 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.764 0.316 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.08 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.496 HD13 ' HB2' ' I' ' 8' ' ' SER . 25.6 mt -137.86 137.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 126.32 20.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.338 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.607 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 139.44 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.64 6.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.841 179.199 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.566 179.399 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.3 m -129.07 70.52 81.67 Favored Pre-proline 0 N--CA 1.457 -0.121 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.701 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.608 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -67.15 142.79 62.47 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.568 2.179 . . . . 0.0 112.213 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' I' ' 2' ' ' THR . 16.2 m-85 -132.08 140.88 49.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.649 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.58 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.5 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.013 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.449 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.87 140.52 38.46 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.527 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' J' ' 8' ' ' SER . 25.4 mt -137.62 137.18 45.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.91 126.27 20.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.222 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.36 139.42 33.53 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.792 179.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.782 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.8 42.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.597 0.237 . . . . 0.0 110.426 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.3 m -129.38 69.8 81.44 Favored Pre-proline 0 C--O 1.231 0.121 0 CA-C-O 120.753 0.311 . . . . 0.0 110.706 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.608 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.0 Cg_endo -65.86 145.38 80.22 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.456 2.104 . . . . 0.0 112.19 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.55 ' N ' HG21 ' J' ' 2' ' ' THR . 14.7 m-85 -133.45 139.42 46.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.58 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.543 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.693 0.282 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.33 140.36 37.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.434 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' K' ' 8' ' ' SER . 24.8 mt -138.05 136.98 44.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 111.102 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.02 126.27 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.299 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.545 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.15 139.56 33.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.858 0.361 . . . . 0.0 111.856 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.612 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.24 6.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.827 179.724 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.782 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 120.99 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.64 0.257 . . . . 0.0 110.431 179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 38.6 m -129.52 69.09 81.19 Favored Pre-proline 0 N--CA 1.456 -0.153 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 34.2 Cg_endo -65.21 145.33 83.91 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.545 2.163 . . . . 0.0 112.164 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.57 ' H ' HG21 ' K' ' 2' ' ' THR . 14.7 m-85 -133.26 137.91 46.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.865 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.597 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.57 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.743 0.306 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.17 37.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.32 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.46 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.2 mt -137.45 137.19 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.042 0.449 . . . . 0.0 111.102 179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.21 126.05 19.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.259 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.557 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.55 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 103.05 6.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.807 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.63 120.94 42.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.629 0.252 . . . . 0.0 110.524 179.193 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -129.53 69.5 81.4 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.916 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.559 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.1 Cg_endo -65.39 145.4 83.02 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.466 2.111 . . . . 0.0 111.922 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.573 ' H ' HG21 ' L' ' 2' ' ' THR . 13.6 m-85 -132.9 138.37 46.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.895 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.954 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.495 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.703 0.287 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.13 37.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.254 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.48 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.8 mt -137.51 137.16 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.021 0.439 . . . . 0.0 111.223 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.38 20.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.271 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 111.864 -179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.45 6.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.812 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.95 121.02 42.64 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.452 179.241 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.5 m -129.7 69.45 81.52 Favored Pre-proline 0 C--O 1.231 0.124 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.543 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.0 Cg_endo -66.02 145.34 79.21 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.375 2.05 . . . . 0.0 112.014 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.542 ' H ' HG21 ' M' ' 2' ' ' THR . 14.1 m-85 -132.66 138.11 47.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.68 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.507 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.721 0.296 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.31 37.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.323 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' N' ' 10' ' ' TYR . 27.7 mt -137.84 136.9 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.257 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.46 20.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.254 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.41 139.09 33.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.873 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 102.88 5.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.777 179.522 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.787 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 120.99 42.96 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.649 0.262 . . . . 0.0 110.558 179.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -129.83 69.42 81.61 Favored Pre-proline 0 C--N 1.333 -0.113 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.796 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 37.1 Cg_endo -66.04 145.1 78.42 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.377 2.051 . . . . 0.0 111.836 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' N' ' 2' ' ' THR . 13.3 m-85 -131.48 138.15 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.059 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.689 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 5.5 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.462 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 21.5 m-85 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.71 0.291 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.08 140.32 37.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.335 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' O' ' 10' ' ' TYR . 35.5 mt -138.18 137.0 44.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.09 126.34 19.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.592 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.33 139.03 33.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.95 0.405 . . . . 0.0 111.775 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.45 102.92 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.835 179.549 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.787 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.9 120.93 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.156 -0.218 . . . . 0.0 110.47 179.283 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.3 m -130.2 69.52 81.94 Favored Pre-proline 0 C--O 1.232 0.14 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 38.4 Cg_endo -66.76 145.19 74.4 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.429 2.086 . . . . 0.0 111.802 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' O' ' 2' ' ' THR . 13.3 m-85 -130.92 137.23 49.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.088 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.689 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.686 0.279 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.38 37.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.285 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' P' ' 8' ' ' SER . 34.3 mt -137.66 136.32 45.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.189 0.519 . . . . 0.0 111.48 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 125.48 18.93 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.493 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.84 138.57 34.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.13 0.491 . . . . 0.0 111.696 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.67 103.25 6.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.674 179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.754 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.64 120.94 41.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.572 179.312 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 41.8 m -130.1 69.55 81.88 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.729 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.487 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 41.9 Cg_endo -66.58 143.41 68.46 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.34 2.026 . . . . 0.0 111.745 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -129.08 135.92 49.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.855 0.359 . . . . 0.0 111.578 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.577 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.836 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.68 0.276 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.7 37.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.405 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.1 mt -137.38 136.62 46.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.115 0.484 . . . . 0.0 111.724 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 121.7 14.89 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.582 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.61 139.23 38.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.081 0.467 . . . . 0.0 111.61 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 104.01 6.63 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.101 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.71 120.81 42.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.594 0.235 . . . . 0.0 110.442 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.496 ' HB2' HD13 ' A' ' 3' ' ' ILE . 38.6 m -129.68 69.27 81.42 Favored Pre-proline 0 CA--C 1.528 0.098 0 CA-C-O 120.691 0.282 . . . . 0.0 110.795 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.6 Cg_endo -66.82 145.25 74.24 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.475 2.116 . . . . 0.0 112.135 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.449 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 17.7 m-85 -130.43 141.64 50.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.72 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 5.1 t . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.781 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.442 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.752 0.31 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.55 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.62 37.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.362 -179.848 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.75 137.1 45.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.462 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.54 123.99 16.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.349 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.48 139.36 35.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.378 . . . . 0.0 111.401 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.75 6.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.21 121.05 43.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.433 179.488 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.4 m -130.23 69.45 81.95 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-O 120.753 0.311 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.568 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 38.0 Cg_endo -67.2 145.37 72.37 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.565 2.177 . . . . 0.0 112.189 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 16.2 m-85 -131.38 141.94 49.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.72 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.442 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.57 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.34 140.56 37.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.383 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.14 137.04 44.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.46 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.67 122.96 15.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.399 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.72 139.44 36.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.785 0.326 . . . . 0.0 111.357 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.659 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.88 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.988 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.95 43.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.609 179.382 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.447 ' HB2' HD13 ' C' ' 3' ' ' ILE . 46.1 m -129.55 69.08 81.21 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-O 120.686 0.279 . . . . 0.0 110.9 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.568 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 37.3 Cg_endo -66.85 145.42 74.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.528 2.152 . . . . 0.0 112.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.57 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 16.2 m-85 -131.67 141.31 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.711 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.552 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.715 0.293 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.573 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.48 37.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.367 -179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.07 137.17 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.413 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.73 16.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.339 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.65 139.33 34.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 111.495 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.638 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.66 6.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.066 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.727 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.46 120.87 43.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.565 0.221 . . . . 0.0 110.527 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.46 ' HB2' HD13 ' D' ' 3' ' ' ILE . 42.8 m -129.84 69.4 81.61 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-O 120.666 0.27 . . . . 0.0 110.804 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.55 ' HA ' ' HG2' ' K' ' 9' ' ' PRO . 37.8 Cg_endo -67.09 145.36 72.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.243 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.495 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 15.4 m-85 -131.52 141.16 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.679 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.552 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.659 0.266 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.542 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.73 37.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.41 -179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 mt -139.12 136.98 42.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.087 0.47 . . . . 0.0 111.47 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 124.0 16.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.14 139.46 35.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.395 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.06 6.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.005 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.97 120.83 42.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.557 0.218 . . . . 0.0 110.428 179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' E' ' 3' ' ' ILE . 43.9 m -129.76 68.72 81.01 Favored Pre-proline 0 C--O 1.231 0.115 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.967 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.4 Cg_endo -66.51 145.69 77.47 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.564 2.176 . . . . 0.0 112.148 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.507 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 15.8 m-85 -132.44 140.76 48.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.679 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.702 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.65 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.565 -179.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 43.5 mt -139.88 136.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.115 0.483 . . . . 0.0 111.489 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.84 123.74 16.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.213 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.47 36.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 111.377 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.619 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.92 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.927 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 120.71 42.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.581 0.229 . . . . 0.0 110.513 179.391 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.461 ' HB2' HD13 ' F' ' 3' ' ' ILE . 46.9 m -129.96 68.68 81.16 Favored Pre-proline 0 CA--C 1.529 0.164 0 CA-C-O 120.727 0.298 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.3 Cg_endo -66.37 145.85 78.73 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.494 2.129 . . . . 0.0 112.272 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.3 m-85 -132.43 140.57 48.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 7.0 t . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.689 0.281 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.35 140.94 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.656 -179.387 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 44.2 mt -140.29 136.79 37.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.131 0.491 . . . . 0.0 111.6 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.78 123.52 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.295 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.81 139.29 36.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.406 . . . . 0.0 111.467 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.638 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.56 7.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.706 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.38 39.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.648 0.261 . . . . 0.0 110.475 179.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.498 ' HB2' HD13 ' G' ' 3' ' ' ILE . 47.6 m -129.31 68.95 80.88 Favored Pre-proline 0 C--O 1.231 0.12 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.539 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.0 Cg_endo -66.49 145.59 77.27 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.536 2.157 . . . . 0.0 112.288 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.505 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.1 m-85 -132.73 140.95 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.69 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.698 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.955 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 120.697 0.284 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.78 37.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.476 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 40.1 mt -138.96 137.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.401 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.411 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.59 16.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.276 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.33 36.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.607 0.242 . . . . 0.0 111.65 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.638 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.52 107.56 8.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.686 179.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.706 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.38 120.95 41.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.617 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.5 ' HB2' HD13 ' H' ' 3' ' ' ILE . 37.7 m -130.24 71.12 82.36 Favored Pre-proline 0 C--N 1.333 -0.146 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.535 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.8 Cg_endo -68.15 144.92 64.93 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.566 2.178 . . . . 0.0 112.225 179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.483 ' CE1' HD11 ' H' ' 3' ' ' ILE . 17.3 m-85 -133.27 140.06 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.616 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.698 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.721 0.296 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.232 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -137.42 137.02 46.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.019 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.16 126.41 21.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.162 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.6 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.61 139.44 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.35 6.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.817 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.734 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -110.93 120.98 44.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.48 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.46 69.67 81.43 Favored Pre-proline 0 N--CA 1.456 -0.129 0 CA-C-O 120.819 0.343 . . . . 0.0 110.697 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.582 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 48.5 Cg_endo -68.8 142.47 52.46 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.499 2.133 . . . . 0.0 112.173 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.569 ' N ' HG21 ' I' ' 2' ' ' THR . 16.0 m-85 -131.35 142.62 50.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.65 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 7.8 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.076 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.582 0.229 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.59 140.38 38.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.443 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.7 mt -137.05 137.08 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.289 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 125.67 19.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.188 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.73 33.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.387 . . . . 0.0 111.828 -179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.06 6.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.871 179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.761 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.93 43.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.646 0.26 . . . . 0.0 110.302 179.182 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -129.23 69.28 81.04 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.808 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.582 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.4 Cg_endo -67.31 145.19 71.07 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.318 2.012 . . . . 0.0 112.076 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.532 ' N ' HG21 ' J' ' 2' ' ' THR . 15.0 m-85 -133.58 140.02 46.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.598 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 7.2 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.154 -0.927 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.529 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.733 0.302 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.27 37.77 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.285 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 mt -136.91 137.28 47.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.108 0.48 . . . . 0.0 111.186 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 125.84 19.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.204 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.4 139.56 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 111.868 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.593 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.17 6.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.835 179.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.78 120.93 43.18 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 179.16 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.57 68.6 80.63 Favored Pre-proline 0 C--O 1.232 0.18 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.54 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 37.8 Cg_endo -66.74 145.12 74.27 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.499 2.132 . . . . 0.0 111.957 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.503 ' H ' HG21 ' K' ' 2' ' ' THR . 14.2 m-85 -133.16 139.51 47.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.597 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.548 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.679 0.276 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.36 140.31 37.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.394 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.408 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -137.08 137.01 47.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.98 125.69 19.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.269 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.22 139.58 33.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.944 0.402 . . . . 0.0 111.878 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.617 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 102.97 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.817 179.587 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.761 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.5 121.03 43.66 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.364 179.058 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 5.0 m -129.91 68.82 81.28 Favored Pre-proline 0 C--O 1.232 0.137 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.492 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 39.7 Cg_endo -67.27 145.18 71.24 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.479 2.12 . . . . 0.0 111.902 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.525 ' H ' HG21 ' L' ' 2' ' ' THR . 14.0 m-85 -132.74 138.64 47.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.02 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.595 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 6.2 t . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.708 0.29 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.07 140.37 38.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.353 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 29.3 mt -137.25 137.27 46.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 125.88 19.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.211 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.27 139.64 33.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.884 0.373 . . . . 0.0 111.808 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.25 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.752 179.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.98 121.03 43.43 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.42 179.185 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -129.97 68.51 80.94 Favored Pre-proline 0 C--O 1.232 0.138 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.92 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.503 ' HB3' ' HG2' ' F' ' 9' ' ' PRO . 38.2 Cg_endo -66.64 144.95 74.32 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.479 2.119 . . . . 0.0 111.8 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.493 ' H ' HG21 ' M' ' 2' ' ' THR . 13.4 m-85 -132.52 139.19 47.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.967 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.62 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 5.8 t . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.536 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.662 0.268 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.21 37.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.281 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' N' ' 10' ' ' TYR . 30.6 mt -136.88 137.2 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.022 0.439 . . . . 0.0 111.233 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 125.84 19.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.218 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.37 139.62 33.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 0.0 111.833 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.1 6.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.771 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -112.91 120.76 42.54 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.367 179.102 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 5.5 m -129.92 68.31 80.62 Favored Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.503 ' HG2' ' HB3' ' E' ' 9' ' ' PRO . 40.3 Cg_endo -67.1 145.11 72.11 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.376 2.05 . . . . 0.0 111.859 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.448 ' H ' HG21 ' N' ' 2' ' ' THR . 13.6 m-85 -131.93 138.82 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.07 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.62 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.453 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.21 37.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.307 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.447 HD11 ' CE1' ' O' ' 10' ' ' TYR . 31.9 mt -137.07 137.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.093 0.473 . . . . 0.0 111.259 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.06 125.65 19.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.223 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.3 139.48 33.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 111.944 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.01 103.03 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.811 179.662 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.87 42.93 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.416 179.135 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -130.1 68.42 80.97 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.488 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 42.9 Cg_endo -67.19 145.01 71.17 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.414 2.076 . . . . 0.0 111.771 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.414 ' H ' HG21 ' O' ' 2' ' ' THR . 13.0 m-85 -131.56 139.03 49.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.201 -179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.907 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.79 0.329 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.26 37.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.26 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.56 136.59 48.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.155 0.502 . . . . 0.0 111.363 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 123.95 17.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.536 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.516 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.13 138.91 35.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.167 0.508 . . . . 0.0 111.612 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.21 6.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.69 179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.16 120.91 42.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.606 0.241 . . . . 0.0 110.528 179.403 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -130.07 67.45 79.7 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 41.1 Cg_endo -66.19 143.02 69.59 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.295 1.996 . . . . 0.0 111.629 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -129.26 137.04 50.84 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.824 0.345 . . . . 0.0 111.668 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.871 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.838 0.352 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.569 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.07 140.78 38.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.354 -179.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -137.06 136.27 47.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.125 0.488 . . . . 0.0 111.715 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.29 121.58 14.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.602 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.71 139.36 38.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.042 0.449 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 103.89 6.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.045 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.84 43.07 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.69 67.94 79.88 Favored Pre-proline 0 C--O 1.232 0.173 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 40.5 Cg_endo -67.29 145.37 71.81 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.56 2.173 . . . . 0.0 112.117 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 15.2 m-85 -131.25 142.8 50.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.172 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.829 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.432 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.777 0.322 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.532 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.11 140.64 38.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.362 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.34 136.95 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.455 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.09 16.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.296 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.07 139.38 35.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.313 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.654 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.61 103.79 6.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.94 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.29 120.96 43.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.371 179.385 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.96 68.41 80.81 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.674 0.273 . . . . 0.0 110.834 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.509 ' HG2' ' HB3' ' K' ' 9' ' ' PRO . 42.2 Cg_endo -68.19 145.16 65.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.532 2.155 . . . . 0.0 112.117 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.529 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 14.9 m-85 -131.03 143.81 50.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.727 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.811 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.432 ' HD1' ' H3 ' ' J' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.717 0.294 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.503 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.75 37.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.378 -179.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -138.01 136.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.391 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 123.4 16.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.227 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.34 139.64 35.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.939 0.4 . . . . 0.0 111.308 -179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.55 103.63 6.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.963 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -111.03 120.72 43.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.635 0.255 . . . . 0.0 110.348 179.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -130.23 68.37 81.04 Favored Pre-proline 0 C--O 1.231 0.117 0 CA-C-O 120.75 0.309 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.509 ' HB3' ' HG2' ' J' ' 9' ' ' PRO . 42.1 Cg_endo -68.02 145.24 66.92 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.524 2.15 . . . . 0.0 112.15 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.548 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 15.8 m-85 -131.34 143.14 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.727 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.825 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.429 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.769 0.319 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.525 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.56 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.01 136.95 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.035 0.445 . . . . 0.0 111.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.45 123.71 16.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.346 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.42 139.47 35.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 0.0 111.363 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.97 103.72 6.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.917 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.72 120.67 42.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.607 0.242 . . . . 0.0 110.48 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.84 68.04 80.18 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.726 0.298 . . . . 0.0 110.783 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 39.4 Cg_endo -67.41 145.21 70.51 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.492 2.128 . . . . 0.0 112.142 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 16.1 m-85 -131.54 143.0 50.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.648 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 6.0 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.688 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.493 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.55 140.7 37.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.508 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.4 mt -138.58 136.94 43.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.086 0.469 . . . . 0.0 111.457 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 123.73 16.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.136 179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.97 139.51 34.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.844 0.354 . . . . 0.0 111.474 -179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.633 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.89 103.65 6.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.023 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.38 120.86 43.6 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.262 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -130.51 68.25 81.21 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.694 0.283 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.52 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 41.2 Cg_endo -67.72 145.38 69.21 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.601 2.201 . . . . 0.0 112.179 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.536 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 16.0 m-85 -131.7 142.06 49.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.648 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 6.1 t . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.723 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.72 0.295 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.448 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.559 -179.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 36.1 mt -138.85 136.96 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 111.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 122.55 15.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.322 179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.4 139.5 37.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.878 0.371 . . . . 0.0 111.449 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.592 HD13 ' HB3' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 103.81 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -111.74 120.63 42.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.261 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -130.1 67.81 80.19 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 39.0 Cg_endo -67.36 145.62 72.27 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.65 2.233 . . . . 0.0 112.214 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.457 ' CE1' HD11 ' F' ' 3' ' ' ILE . 15.7 m-85 -132.64 142.1 48.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.803 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.647 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 6.3 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.843 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.723 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.755 0.312 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.48 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.26 140.84 37.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.558 -179.312 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -139.74 136.63 39.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.153 0.502 . . . . 0.0 111.617 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.76 123.65 16.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.267 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.54 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 0.0 111.391 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.595 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.71 103.88 6.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -111.96 120.63 42.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.633 0.254 . . . . 0.0 110.406 179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.88 68.12 80.34 Favored Pre-proline 0 CA--C 1.528 0.12 0 CA-C-O 120.763 0.316 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' N' ' 9' ' ' PRO . 40.0 Cg_endo -67.78 145.38 68.79 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.447 ' CE1' HD11 ' G' ' 3' ' ' ILE . 16.0 m-85 -132.67 141.97 48.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.672 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.716 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 6.4 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.587 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.57 37.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.405 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 33.8 mt -137.65 137.53 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.204 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 123.08 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.41 139.41 35.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.626 0.251 . . . . 0.0 111.669 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.595 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 106.49 8.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.828 179.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.17 120.85 42.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.429 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.49 69.42 82.16 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.522 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 47.2 Cg_endo -68.83 145.17 61.67 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.542 2.161 . . . . 0.0 112.264 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -132.95 142.99 49.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.716 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 7.3 t . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 139.93 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.288 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -136.55 137.21 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.69 126.22 20.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.213 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.4 139.31 33.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.589 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.13 103.96 6.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.888 179.4 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.39 120.87 43.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.382 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 69.46 80.41 Favored Pre-proline 0 N--CA 1.456 -0.158 0 CA-C-O 120.827 0.346 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.555 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 39.3 Cg_endo -66.91 143.61 67.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.521 2.147 . . . . 0.0 112.0 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.553 ' N ' HG21 ' I' ' 2' ' ' THR . 13.8 m-85 -131.95 142.11 49.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.682 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.551 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 4.4 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.048 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.432 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.768 0.318 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.13 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.351 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -136.04 137.28 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.22 19.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.554 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.28 139.59 33.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.781 0.324 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.31 6.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.757 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.77 42.5 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.35 179.121 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.95 68.54 79.75 Favored Pre-proline 0 N--CA 1.456 -0.155 0 CA-C-O 120.748 0.308 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.555 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 36.3 Cg_endo -65.67 145.39 81.41 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.121 . . . . 0.0 112.033 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.555 ' N ' HG21 ' J' ' 2' ' ' THR . 12.7 m-85 -132.99 139.26 47.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.556 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.512 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.702 0.286 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.19 37.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.384 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' K' ' 10' ' ' TYR . 25.2 mt -136.44 137.16 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.142 0.496 . . . . 0.0 111.163 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 126.54 20.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.295 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.46 33.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.845 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.594 HD13 ' O ' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 103.29 6.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.761 179.643 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.84 120.62 41.36 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.334 179.141 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.02 68.75 80.29 Favored Pre-proline 0 C--N 1.333 -0.122 0 CA-C-O 120.725 0.297 . . . . 0.0 110.975 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.537 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 35.8 Cg_endo -65.47 145.43 82.6 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.474 2.116 . . . . 0.0 112.0 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.512 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.84 138.41 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.779 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 3.3 t . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.534 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.59 0.234 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.15 37.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.273 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' L' ' 10' ' ' TYR . 27.7 mt -136.51 137.28 47.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.27 126.39 19.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.205 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.27 139.53 33.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 111.894 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.25 103.22 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.772 179.652 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.777 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.37 120.91 42.73 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.045 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.52 68.66 80.68 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.683 0.278 . . . . 0.0 110.919 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.541 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 36.2 Cg_endo -65.45 145.3 82.45 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.523 2.149 . . . . 0.0 111.915 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.522 ' H ' HG21 ' L' ' 2' ' ' THR . 12.6 m-85 -132.54 137.44 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.935 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.57 ' HA ' ' HB3' ' E' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.504 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.733 0.301 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.14 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.239 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' M' ' 10' ' ' TYR . 28.3 mt -136.41 136.97 48.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.008 0.433 . . . . 0.0 111.235 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.29 19.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.24 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.553 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.25 139.35 33.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.885 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.21 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.95 179.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.91 42.62 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.415 179.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.34 68.16 79.77 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.983 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.541 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.4 Cg_endo -64.94 145.03 84.75 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.404 2.069 . . . . 0.0 111.867 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' M' ' 2' ' ' THR . 12.1 m-85 -131.72 137.96 48.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.991 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.573 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.665 0.269 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.18 140.14 37.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.226 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.449 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.2 mt -136.6 137.1 48.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.028 0.442 . . . . 0.0 111.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.3 19.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.327 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.548 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.36 139.43 33.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.854 0.359 . . . . 0.0 111.803 -179.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.645 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.34 103.11 6.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.876 179.703 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.54 121.02 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.65 0.262 . . . . 0.0 110.385 179.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.59 68.12 80.0 Favored Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.1 144.56 82.23 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.403 2.068 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.477 ' H ' HG21 ' N' ' 2' ' ' THR . 12.0 m-85 -130.99 137.46 49.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.042 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.573 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 2.8 t . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.444 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.814 0.34 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.27 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.473 HD11 ' CE1' ' O' ' 10' ' ' TYR . 30.3 mt -136.75 137.03 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.013 0.435 . . . . 0.0 111.259 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 126.26 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.569 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.41 139.3 33.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 111.797 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.645 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 102.93 5.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.4 120.92 42.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.654 0.264 . . . . 0.0 110.411 179.092 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.81 68.05 80.15 Favored Pre-proline 0 CA--C 1.529 0.156 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.0 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.498 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.3 Cg_endo -65.42 144.84 81.3 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.412 2.075 . . . . 0.0 111.766 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -130.74 137.25 49.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.201 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 2.1 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.855 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.715 0.293 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.12 140.18 37.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -135.85 136.36 50.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.178 0.513 . . . . 0.0 111.387 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 124.24 17.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.607 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.46 ' CB ' ' HG ' ' P' ' 6' ' ' LEU . . . -140.19 138.43 35.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.045 0.45 . . . . 0.0 111.612 -179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 103.18 6.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.642 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.04 120.92 41.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.725 0.298 . . . . 0.0 110.376 179.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.51 68.37 80.26 Favored Pre-proline 0 C--O 1.233 0.202 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.479 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 39.4 Cg_endo -65.75 142.29 69.42 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.45 2.1 . . . . 0.0 111.684 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -127.65 136.89 52.23 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.787 0.327 . . . . 0.0 111.577 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.552 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 1.5 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.788 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.8 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.699 0.285 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.553 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.65 37.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.442 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -136.21 136.77 49.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.199 0.523 . . . . 0.0 111.752 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.46 122.01 15.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.679 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.47 139.02 38.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.077 0.465 . . . . 0.0 111.471 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.651 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.04 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.07 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.61 120.69 41.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.635 0.255 . . . . 0.0 110.329 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.5 68.0 77.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.9 Cg_endo -66.21 145.32 78.02 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.479 2.119 . . . . 0.0 111.956 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.432 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.8 m-85 -131.09 141.52 50.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.616 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 1.6 t . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.805 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.413 ' HD1' ' H3 ' ' I' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.849 0.357 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.555 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.24 140.54 37.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.387 -179.885 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -136.61 137.09 48.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.47 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.48 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.398 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.34 36.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.283 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 103.75 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.047 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.711 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.98 120.79 43.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.457 179.301 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.86 68.09 78.72 Favored Pre-proline 0 CA--C 1.528 0.134 0 CA-C-O 120.666 0.27 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.526 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 37.7 Cg_endo -66.89 144.6 71.35 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.466 2.111 . . . . 0.0 112.129 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.512 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.8 m-85 -130.16 142.57 50.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.617 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 2.4 t . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.512 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.37 140.55 37.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.414 -179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 37.6 mt -137.19 136.91 46.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.469 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 123.57 16.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.323 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.86 139.37 36.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 111.25 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.666 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.81 6.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.003 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.711 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.03 120.65 42.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.348 179.365 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.2 68.18 79.64 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 120.658 0.266 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.526 ' HA ' ' HG2' ' J' ' 9' ' ' PRO . 38.0 Cg_endo -66.63 145.37 75.71 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.396 2.064 . . . . 0.0 112.239 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.534 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 13.4 m-85 -131.19 141.66 50.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.051 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.617 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.5 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.75 0.309 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.29 140.67 37.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.383 -179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -137.2 137.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.38 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.71 123.26 16.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.78 139.35 36.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.834 0.35 . . . . 0.0 111.25 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.99 104.27 6.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.933 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.65 120.73 42.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.416 179.29 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.5 67.99 79.71 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.733 0.302 . . . . 0.0 110.956 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.533 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 38.0 Cg_endo -66.64 145.31 75.51 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.481 2.121 . . . . 0.0 112.091 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 13.0 m-85 -130.91 142.39 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.653 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 2.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.583 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.46 140.67 37.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.435 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 37.9 mt -137.7 137.16 45.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.039 0.447 . . . . 0.0 111.467 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.47 16.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.351 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.93 139.24 36.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.827 0.346 . . . . 0.0 111.42 -179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.628 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.97 6.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.742 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.37 120.69 42.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.393 179.318 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.6 68.46 80.48 Favored Pre-proline 0 C--O 1.232 0.161 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.814 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.581 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 37.7 Cg_endo -67.02 145.19 72.81 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.408 2.072 . . . . 0.0 112.196 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.2 m-85 -130.96 141.38 50.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.653 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 3.6 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.583 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.768 0.318 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.477 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.41 140.54 37.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.496 -179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.1 137.02 44.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.103 0.478 . . . . 0.0 111.462 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.79 122.6 15.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.362 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.84 139.41 38.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.375 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.01 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.06 -179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.742 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.04 120.64 42.05 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.422 179.319 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.53 67.68 79.32 Favored Pre-proline 0 C--O 1.232 0.151 0 CA-C-O 120.707 0.289 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.581 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.1 Cg_endo -65.66 145.61 82.0 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.542 2.161 . . . . 0.0 112.188 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.449 ' CE1' HD11 ' F' ' 3' ' ' ILE . 13.3 m-85 -131.66 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.649 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 3.2 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.575 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.821 0.343 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.54 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.583 -179.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . 0.437 ' HB ' HG12 ' P' ' 3' ' ' ILE . 41.2 mt -138.12 137.05 44.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.175 0.512 . . . . 0.0 111.504 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.453 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.93 122.89 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.311 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.1 139.39 37.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.842 0.353 . . . . 0.0 111.528 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.656 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 105.85 7.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.973 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.689 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.67 120.51 40.38 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.05 -0.26 . . . . 0.0 110.311 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.31 67.8 79.21 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.8 Cg_endo -65.96 145.75 80.71 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.594 2.196 . . . . 0.0 112.081 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' G' ' 3' ' ' ILE . 13.7 m-85 -132.37 141.15 48.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.715 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.646 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.795 0.331 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.61 37.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.34 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . 0.437 HG12 ' HB ' ' O' ' 3' ' ' ILE . 36.3 mt -137.66 137.5 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.368 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.453 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.24 123.17 16.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.243 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.79 139.38 36.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.525 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.656 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.48 109.12 10.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.672 179.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.683 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.54 120.62 39.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.412 179.471 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.77 69.85 81.74 Favored Pre-proline 0 N--CA 1.456 -0.149 0 CA-C-O 120.857 0.36 . . . . 0.0 111.016 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.557 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.3 Cg_endo -67.41 145.18 70.39 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.583 2.188 . . . . 0.0 112.078 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -132.9 140.42 47.87 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.566 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.646 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 4.2 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.979 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.35 37.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.302 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.539 HD13 ' HB2' ' I' ' 8' ' ' SER . 23.3 mt -138.15 137.26 44.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.85 128.08 22.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.605 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.18 139.41 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.6 6.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.891 179.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.41 120.94 43.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.449 179.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -128.81 69.41 80.17 Favored Pre-proline 0 N--CA 1.456 -0.144 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.764 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.558 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.9 Cg_endo -66.95 143.2 65.24 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.511 2.141 . . . . 0.0 112.055 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.574 ' N ' HG21 ' I' ' 2' ' ' THR . 13.6 m-85 -132.29 142.64 49.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.698 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.177 -0.916 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.523 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.753 0.311 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.41 37.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.356 -179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' J' ' 8' ' ' SER . 19.5 mt -137.59 137.2 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.52 128.04 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.284 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.34 139.23 33.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 111.825 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.575 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.72 103.0 5.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.86 179.442 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.763 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.14 120.71 42.21 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 179.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -128.9 68.61 79.66 Favored Pre-proline 0 CA--C 1.529 0.161 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.576 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 34.9 Cg_endo -65.18 145.42 84.27 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.346 2.03 . . . . 0.0 112.114 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.604 ' N ' HG21 ' J' ' 2' ' ' THR . 12.4 m-85 -133.53 139.18 46.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.538 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.686 0.279 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.11 37.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.501 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' K' ' 8' ' ' SER . 21.5 mt -137.48 137.14 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.047 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.67 21.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.56 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.5 33.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.894 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.586 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 103.09 6.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.765 179.654 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.779 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.15 120.72 42.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.012 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -129.23 68.78 80.55 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.681 0.277 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 36.2 Cg_endo -65.86 145.45 80.44 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.413 2.075 . . . . 0.0 112.083 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.555 ' H ' HG21 ' K' ' 2' ' ' THR . 12.4 m-85 -132.89 138.73 47.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.914 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.532 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.745 0.307 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.35 37.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.325 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' L' ' 8' ' ' SER . 23.0 mt -137.7 137.13 45.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.029 0.442 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.05 127.76 21.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.347 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.556 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.25 139.26 33.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.881 0.372 . . . . 0.0 111.811 -179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.01 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.895 179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.87 42.4 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 179.102 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -129.26 68.56 80.26 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.556 ' HA ' ' HG2' ' E' ' 9' ' ' PRO . 33.8 Cg_endo -65.21 145.21 83.6 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.41 2.073 . . . . 0.0 111.976 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.534 ' H ' HG21 ' L' ' 2' ' ' THR . 12.2 m-85 -132.6 138.78 47.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.919 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.987 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 120.755 0.312 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.23 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.541 HD13 ' HB2' ' M' ' 8' ' ' SER . 26.9 mt -137.52 137.17 45.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 127.81 21.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.291 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.574 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.32 139.33 33.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 111.834 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.6 103.02 5.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.788 179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.767 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 121.26 43.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.065 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 5.1 m -129.79 68.41 80.62 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 33.8 Cg_endo -65.16 145.26 84.04 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.391 2.061 . . . . 0.0 111.865 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.546 ' H ' HG21 ' M' ' 2' ' ' THR . 11.7 m-85 -132.6 137.77 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.95 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.496 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.3 140.34 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.307 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.536 HD13 ' HB2' ' N' ' 8' ' ' SER . 27.6 mt -137.5 137.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.17 127.6 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.356 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.596 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.37 139.39 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 111.844 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.605 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.48 103.16 6.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.857 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.757 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.39 121.21 43.66 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.451 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 4.9 m -129.85 67.92 80.03 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.741 0.305 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.519 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 36.3 Cg_endo -65.32 144.76 81.58 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.408 2.072 . . . . 0.0 111.771 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.471 ' H ' HG21 ' N' ' 2' ' ' THR . 11.3 m-85 -131.57 139.07 49.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.213 -0.899 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.494 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.661 0.267 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.23 37.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.338 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' O' ' 8' ' ' SER . 29.5 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.247 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.31 127.53 21.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.282 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.33 139.4 33.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.941 0.4 . . . . 0.0 111.729 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.29 102.99 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.864 179.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.32 120.84 42.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.43 179.091 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.9 68.27 80.55 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.828 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.521 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 37.8 Cg_endo -66.12 144.49 75.67 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.393 2.062 . . . . 0.0 111.51 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -130.42 139.05 50.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.193 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' H' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.156 -0.926 . . . . 0.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.421 ' H3 ' ' HD1' ' G' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.757 0.313 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.1 140.47 37.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.337 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.594 HD13 ' HB2' ' P' ' 8' ' ' SER . 33.9 mt -137.67 136.63 45.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.25 0.548 . . . . 0.0 111.43 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.07 126.93 20.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.592 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.583 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.93 138.53 33.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.626 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.83 103.37 6.29 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.76 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.28 121.14 41.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.663 0.268 . . . . 0.0 110.533 179.249 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -129.95 67.71 79.88 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.8 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.521 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.9 Cg_endo -65.18 143.12 76.6 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.339 2.026 . . . . 0.0 111.56 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -128.83 136.98 51.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.857 0.36 . . . . 0.0 111.576 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.815 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.736 0.303 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.574 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.19 140.75 37.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.49 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 mt -137.02 136.71 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.089 0.471 . . . . 0.0 111.635 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 122.86 16.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.626 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.8 138.99 38.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.066 0.46 . . . . 0.0 111.539 -179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 104.91 7.16 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.144 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.06 120.79 41.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.52 0.2 . . . . 0.0 110.493 179.314 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.539 ' HB2' HD13 ' A' ' 3' ' ' ILE . 5.4 m -129.0 68.48 79.87 Favored Pre-proline 0 C--O 1.232 0.133 0 CA-C-O 120.618 0.246 . . . . 0.0 111.002 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.576 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.27 145.17 77.25 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.516 2.144 . . . . 0.0 112.048 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.523 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 12.7 m-85 -130.86 142.91 50.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.216 -179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.805 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.839 0.352 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.604 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.39 140.66 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.358 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -137.7 137.12 45.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 111.386 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 125.09 17.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.275 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.41 36.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.926 0.393 . . . . 0.0 111.265 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.92 103.89 6.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.977 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -111.78 120.92 43.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.44 179.299 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.523 ' HB2' HD13 ' B' ' 3' ' ' ILE . 5.0 m -129.51 68.09 79.86 Favored Pre-proline 0 C--O 1.232 0.155 0 CA-C-O 120.704 0.288 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.576 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 38.8 Cg_endo -67.12 145.24 72.37 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.48 2.12 . . . . 0.0 112.173 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.538 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 12.8 m-85 -131.22 144.02 51.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.024 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' K' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.789 0.328 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.555 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.22 140.56 37.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.811 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -138.02 136.87 44.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.066 0.46 . . . . 0.0 111.332 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.38 125.92 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.223 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.92 139.19 34.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.831 0.348 . . . . 0.0 111.335 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.646 HD13 ' HB3' ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 103.87 6.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.081 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.92 43.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.716 -0.22 . . . . 0.0 110.455 179.287 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.515 ' HB2' HD13 ' C' ' 3' ' ' ILE . 4.3 m -129.6 68.43 80.43 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-O 120.705 0.288 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 38.1 Cg_endo -67.19 145.35 72.35 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.496 2.131 . . . . 0.0 112.048 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.532 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.7 m-85 -131.47 142.76 50.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.55 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.742 0.306 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.534 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.76 37.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.421 -179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 33.9 mt -138.55 136.9 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.348 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.58 124.94 17.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.283 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.95 139.34 36.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.896 0.379 . . . . 0.0 111.303 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.646 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.2 103.97 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.951 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.26 120.75 42.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.612 0.244 . . . . 0.0 110.51 179.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.506 ' HB2' HD13 ' D' ' 3' ' ' ILE . 5.2 m -129.34 67.89 79.4 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-O 120.647 0.261 . . . . 0.0 110.98 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.545 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.6 Cg_endo -66.55 145.55 76.79 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.576 2.184 . . . . 0.0 112.179 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.2 m-85 -131.81 142.64 49.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.968 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' M' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.55 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.784 0.326 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.546 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.52 140.76 37.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.505 -179.671 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 33.7 mt -139.15 136.89 42.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.086 0.469 . . . . 0.0 111.392 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.63 125.14 17.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.241 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.22 139.25 35.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 111.356 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.618 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 104.25 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.005 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.87 120.8 42.68 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 179.324 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.541 ' HB2' HD13 ' E' ' 3' ' ' ILE . 4.7 m -129.91 67.88 80.05 Favored Pre-proline 0 CA--C 1.528 0.113 0 CA-C-O 120.765 0.317 . . . . 0.0 110.967 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' N' ' 9' ' ' PRO . 36.6 Cg_endo -66.02 145.62 80.02 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.546 2.164 . . . . 0.0 112.14 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.504 ' CE1' HD11 ' E' ' 3' ' ' ILE . 12.4 m-85 -131.5 142.86 50.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.416 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.907 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.555 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.471 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.78 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.603 -179.607 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.87 136.66 38.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.499 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.464 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.76 124.66 17.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.337 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.67 139.74 36.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.917 0.389 . . . . 0.0 111.496 -179.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.609 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.22 103.91 6.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.129 -179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.62 120.76 42.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.448 -0.204 . . . . 0.0 110.448 179.329 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.536 ' HB2' HD13 ' F' ' 3' ' ' ILE . 4.8 m -129.87 68.12 80.32 Favored Pre-proline 0 CA--C 1.528 0.127 0 CA-C-O 120.679 0.276 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 36.9 Cg_endo -66.22 145.86 79.6 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.612 2.208 . . . . 0.0 112.202 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.494 ' CE1' HD11 ' F' ' 3' ' ' ILE . 12.7 m-85 -132.4 142.02 49.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.76 0.314 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.38 140.94 37.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.539 -179.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -140.1 136.63 37.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.063 0.459 . . . . 0.0 111.538 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.68 125.18 17.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.363 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.91 139.4 36.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.926 0.393 . . . . 0.0 111.572 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.635 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 105.12 7.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.056 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.87 120.77 41.86 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.436 179.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.543 ' HB2' HD13 ' G' ' 3' ' ' ILE . 4.5 m -129.57 67.74 79.44 Favored Pre-proline 0 CA--C 1.528 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 111.008 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.61 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 145.57 81.19 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.508 2.139 . . . . 0.0 112.174 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' G' ' 3' ' ' ILE . 12.6 m-85 -132.57 142.51 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.715 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.41 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.948 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.61 37.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.356 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.4 mt -138.17 137.48 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.32 124.12 17.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.24 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.37 139.37 37.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.73 0.3 . . . . 0.0 111.657 -179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.635 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.78 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.836 179.59 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.699 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -115.21 120.99 41.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.485 179.573 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.594 ' HB2' HD13 ' H' ' 3' ' ' ILE . 4.9 m -130.61 70.25 82.4 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.052 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.61 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 43.1 Cg_endo -68.07 145.05 65.9 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.581 2.187 . . . . 0.0 112.144 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.458 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.8 m-85 -132.81 142.26 48.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.41 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.951 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.761 0.315 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 140.1 37.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.401 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.533 HD13 ' HB2' ' I' ' 8' ' ' SER . 28.1 mt -138.35 137.07 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.014 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.84 126.61 20.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.15 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.616 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.43 139.48 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.85 6.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.26 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.29 120.88 43.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.543 -0.298 . . . . 0.0 110.543 179.403 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -129.13 69.24 80.92 Favored Pre-proline 0 CA--C 1.529 0.144 0 CA-C-O 120.828 0.347 . . . . 0.0 110.805 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 40.0 Cg_endo -67.44 142.31 59.11 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.512 2.142 . . . . 0.0 112.155 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' N ' HG21 ' I' ' 2' ' ' THR . 13.3 m-85 -132.46 142.08 49.09 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 1.3 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.525 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.646 0.26 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.35 140.29 37.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.541 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.492 HD13 ' HB2' ' J' ' 8' ' ' SER . 21.7 mt -138.16 136.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.82 126.54 20.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.199 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.58 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.37 139.42 33.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.98 0.419 . . . . 0.0 111.863 -179.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.36 103.14 6.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.804 179.584 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.6 41.94 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.45 179.203 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -129.42 68.78 80.74 Favored Pre-proline 0 C--O 1.232 0.177 0 CA-C-O 120.766 0.317 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.2 Cg_endo -66.3 145.23 77.23 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.535 2.157 . . . . 0.0 112.201 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 12.9 m-85 -134.26 138.87 45.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.748 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' A' ' 11' ' ' SER . 1.1 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.179 -0.915 . . . . 0.0 110.963 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.553 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.755 0.312 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.28 37.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.358 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' K' ' 8' ' ' SER . 25.8 mt -137.87 137.15 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 126.64 20.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.301 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.572 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.51 139.57 33.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.889 0.376 . . . . 0.0 111.961 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.621 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.38 102.97 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.797 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.756 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.18 121.03 43.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.653 0.263 . . . . 0.0 110.475 179.058 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.5 m -129.8 68.61 80.9 Favored Pre-proline 0 C--O 1.231 0.123 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.87 145.26 79.86 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.524 2.15 . . . . 0.0 112.06 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.557 ' H ' HG21 ' K' ' 2' ' ' THR . 12.5 m-85 -134.3 138.86 45.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.453 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.552 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.776 0.322 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.15 37.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.467 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' L' ' 8' ' ' SER . 28.8 mt -138.29 136.54 44.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.1 126.49 20.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.234 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.44 139.51 33.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.917 0.389 . . . . 0.0 111.951 -179.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.621 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 103.12 6.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.815 179.528 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.756 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.25 120.94 42.92 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.447 179.182 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -129.5 68.35 80.23 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 36.3 Cg_endo -65.79 144.73 78.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.382 2.054 . . . . 0.0 111.868 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.52 ' H ' HG21 ' L' ' 2' ' ' THR . 11.9 m-85 -133.32 138.78 46.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.978 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.547 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.09 140.12 37.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.305 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' M' ' 8' ' ' SER . 31.3 mt -138.32 136.72 44.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.19 126.67 20.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.232 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.578 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.5 139.42 33.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.92 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.79 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.836 179.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.83 42.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.66 0.267 . . . . 0.0 110.488 179.232 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -129.56 68.37 80.32 Favored Pre-proline 0 C--N 1.333 -0.135 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.496 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 36.7 Cg_endo -65.99 144.58 76.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.342 2.028 . . . . 0.0 111.951 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.508 ' H ' HG21 ' M' ' 2' ' ' THR . 12.0 m-85 -132.9 138.92 47.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.986 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.421 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.944 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.766 0.317 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.81 140.23 38.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.419 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.532 HD13 ' HB2' ' N' ' 8' ' ' SER . 31.8 mt -138.62 136.62 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.105 0.479 . . . . 0.0 111.238 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.03 126.68 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.19 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.35 139.21 33.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.959 0.409 . . . . 0.0 111.816 -179.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.14 103.02 6.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.724 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.732 HD12 ' HB3' ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.99 42.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.651 0.262 . . . . 0.0 110.399 179.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.07 67.79 80.14 Favored Pre-proline 0 N--CA 1.456 -0.13 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.971 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.495 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 36.9 Cg_endo -65.55 144.85 80.53 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.385 2.056 . . . . 0.0 111.766 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.462 ' H ' HG21 ' N' ' 2' ' ' THR . 11.8 m-85 -132.67 138.91 47.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.938 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' E' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.509 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 18.5 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.37 37.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.83 0.348 . . . . 0.0 111.363 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' O' ' 8' ' ' SER . 32.2 mt -138.48 136.78 43.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.247 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.59 20.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.35 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.58 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.29 139.5 33.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 111.884 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.03 102.99 6.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.784 179.603 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.84 42.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.657 0.265 . . . . 0.0 110.397 179.18 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -130.32 67.87 80.53 Favored Pre-proline 0 N--CA 1.457 -0.124 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.515 ' HB3' ' HG2' ' H' ' 9' ' ' PRO . 39.2 Cg_endo -66.37 145.01 76.13 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.349 2.032 . . . . 0.0 111.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.428 ' H ' HG21 ' O' ' 2' ' ' THR . 11.8 m-85 -132.21 138.57 48.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.242 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.858 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.472 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 19.5 m-85 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 120.728 0.299 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.29 37.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.359 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' P' ' 8' ' ' SER . 35.2 mt -138.42 136.14 44.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.221 0.534 . . . . 0.0 111.336 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 125.11 18.55 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.506 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.545 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.31 138.79 35.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.145 0.498 . . . . 0.0 111.707 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.57 103.22 6.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.682 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.665 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.35 120.98 41.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.469 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 4.4 m -130.14 67.11 79.35 Favored Pre-proline 0 C--N 1.333 -0.149 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.515 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 37.8 Cg_endo -65.39 142.54 72.83 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.404 2.07 . . . . 0.0 111.588 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -129.18 138.79 51.95 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.812 0.339 . . . . 0.0 111.519 -179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.896 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.562 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.26 140.72 37.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.401 -179.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 34.2 mt -137.79 136.42 45.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.256 0.551 . . . . 0.0 111.618 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 122.03 15.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.635 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.04 139.01 37.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.175 0.512 . . . . 0.0 111.547 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.75 6.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.024 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.86 42.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.646 0.26 . . . . 0.0 110.381 179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.533 ' HB2' HD13 ' A' ' 3' ' ' ILE . 4.0 m -130.0 67.88 80.15 Favored Pre-proline 0 CA--C 1.528 0.101 0 CA-C-O 120.718 0.294 . . . . 0.0 110.982 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.589 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 37.2 Cg_endo -66.49 145.2 76.06 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.496 2.131 . . . . 0.0 112.164 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 13.5 m-85 -131.55 142.07 49.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.563 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.829 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.726 0.298 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.66 37.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.442 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -138.3 136.73 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.331 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.49 123.8 16.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.455 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.5 139.3 35.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 111.285 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.641 ' HB3' HD13 ' I' ' 6' ' ' LEU . 0.0 OUTLIER -131.91 103.57 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.725 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -111.83 120.72 42.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.367 179.501 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.492 ' HB2' HD13 ' B' ' 3' ' ' ILE . 4.3 m -129.58 67.98 79.79 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-O 120.66 0.267 . . . . 0.0 110.787 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.589 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 37.3 Cg_endo -66.69 145.21 74.87 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.48 2.12 . . . . 0.0 112.268 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.553 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 13.0 m-85 -132.12 142.64 49.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.563 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.525 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.764 0.316 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.557 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.62 37.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.63 136.69 43.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.339 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.72 123.79 16.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.322 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.56 139.5 35.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.903 0.382 . . . . 0.0 111.358 -179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.635 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.02 103.76 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.713 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.8 120.89 43.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.47 179.372 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.497 ' HB2' HD13 ' C' ' 3' ' ' ILE . 3.7 m -129.96 67.36 79.44 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-O 120.731 0.3 . . . . 0.0 110.996 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 36.7 Cg_endo -65.84 145.58 80.91 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.569 2.179 . . . . 0.0 112.301 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.552 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 12.6 m-85 -132.69 141.15 48.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.954 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.437 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.766 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.533 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.666 0.269 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.52 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.67 37.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.403 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 35.2 mt -139.12 136.84 42.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.403 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.75 123.97 16.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.202 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.47 139.51 35.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.799 0.333 . . . . 0.0 111.408 -179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.612 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 103.93 6.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.867 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.3 120.81 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.39 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.517 ' HB2' HD13 ' D' ' 3' ' ' ILE . 3.4 m -130.28 67.78 80.37 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-O 120.677 0.275 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.557 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 37.2 Cg_endo -66.29 145.63 78.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.56 2.173 . . . . 0.0 112.24 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.547 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 12.9 m-85 -132.88 141.69 48.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.958 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.562 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.722 0.296 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.508 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.44 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.583 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 mt -139.47 136.82 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 0.0 111.397 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.79 123.65 16.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.326 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.02 139.51 36.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.917 0.389 . . . . 0.0 111.492 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.605 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.12 103.83 6.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.924 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.701 HD12 ' HB3' ' N' ' 7' ' ' LEU . 0.0 OUTLIER -112.59 120.9 43.18 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.408 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.516 ' HB2' HD13 ' E' ' 3' ' ' ILE . 3.7 m -130.21 67.66 80.13 Favored Pre-proline 0 CA--C 1.529 0.163 0 CA-C-O 120.707 0.289 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.557 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.3 Cg_endo -66.08 145.71 79.93 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.493 2.129 . . . . 0.0 112.152 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 13.1 m-85 -133.14 141.14 47.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.783 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.433 ' HB3' ' HA ' ' N' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.695 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.0 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.723 0.296 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.462 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.62 140.57 37.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.546 -179.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.3 mt -140.13 136.85 37.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.062 0.458 . . . . 0.0 111.406 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.412 ' HB1' HD12 ' G' ' 7' ' ' LEU . . . -140.88 123.99 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.282 179.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.31 139.42 35.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 0.0 111.499 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.594 ' O ' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.23 104.08 6.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.912 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -112.99 120.71 42.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.532 ' HB2' HD13 ' F' ' 3' ' ' ILE . 3.1 m -130.22 67.44 79.86 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.676 0.274 . . . . 0.0 111.048 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.57 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 36.3 Cg_endo -65.76 145.56 81.31 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.519 2.146 . . . . 0.0 112.265 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 13.4 m-85 -133.4 140.76 47.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.798 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.454 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.008 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.695 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.762 0.315 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.512 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.59 140.88 37.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.714 -179.319 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 38.0 mt -140.84 136.34 34.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.622 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.43 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.59 124.13 16.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.306 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.27 139.34 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 111.535 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.623 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.06 103.96 6.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.96 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.705 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.02 120.51 41.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.415 179.478 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.522 ' HB2' HD13 ' G' ' 3' ' ' ILE . 3.2 m -129.68 67.54 79.31 Favored Pre-proline 0 CA--C 1.528 0.119 0 CA-C-O 120.737 0.303 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.599 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 35.7 Cg_endo -65.66 145.73 82.34 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.574 2.183 . . . . 0.0 112.225 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.472 ' HE2' ' HD2' ' H' ' 1' ' ' TYR . 13.6 m-85 -134.12 141.27 47.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.65 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.508 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.016 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.64 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.779 0.323 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.24 140.7 37.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.381 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 mt -138.91 137.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.246 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.39 123.4 16.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.307 179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.57 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.657 0.265 . . . . 0.0 111.695 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.623 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.47 107.07 8.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.814 179.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.661 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.397 179.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.561 ' HB2' HD13 ' H' ' 3' ' ' ILE . 3.3 m -130.56 69.93 82.31 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.599 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 41.5 Cg_endo -68.18 145.11 65.42 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.575 2.183 . . . . 0.0 112.253 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -134.27 141.16 46.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.553 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.508 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.956 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.778 0.323 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.79 140.13 38.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.288 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.8 mt -139.0 137.14 42.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.74 126.33 20.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.248 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.604 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.29 139.2 33.61 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.62 103.42 6.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.879 179.24 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.743 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.67 120.91 43.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.737 0.303 . . . . 0.0 110.591 179.358 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.7 m -129.33 70.42 81.75 Favored Pre-proline 0 N--CA 1.455 -0.201 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.685 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.588 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 41.5 Cg_endo -68.0 143.71 61.22 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.516 2.144 . . . . 0.0 112.085 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' I' ' 2' ' ' THR . 18.5 m-85 -131.74 140.67 49.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.554 ' HA ' ' HB3' ' B' ' 11' ' ' SER . 5.9 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.419 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.8 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.688 0.28 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.98 140.27 38.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 19.4 mt -138.47 136.9 43.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.052 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.83 125.57 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.271 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.57 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -140.73 139.41 34.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.944 0.402 . . . . 0.0 111.917 -179.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -132.51 103.3 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.792 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.759 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.8 42.02 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.403 179.101 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.05 70.12 81.41 Favored Pre-proline 0 CA--C 1.529 0.14 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.588 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 37.3 Cg_endo -66.86 145.46 74.7 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.44 2.093 . . . . 0.0 112.142 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.554 ' N ' HG21 ' J' ' 2' ' ' THR . 17.0 m-85 -132.96 140.11 47.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.712 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.609 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.487 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.692 0.282 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.3 37.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.377 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.436 HD11 ' CE1' ' K' ' 10' ' ' TYR . 20.0 mt -138.87 136.86 42.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.473 . . . . 0.0 111.152 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.11 126.58 20.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.287 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.36 139.22 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 111.817 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.597 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.5 102.96 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.752 179.585 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.768 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.67 120.75 41.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.454 179.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 14.1 m -128.99 69.9 81.2 Favored Pre-proline 0 C--N 1.333 -0.145 0 CA-C-O 120.737 0.303 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.89 145.16 73.48 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.424 2.083 . . . . 0.0 112.1 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.533 ' H ' HG21 ' K' ' 2' ' ' THR . 17.1 m-85 -132.29 139.19 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.814 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.609 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 4.9 t . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.928 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.513 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 20.5 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.14 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.413 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.519 HD11 ' CE1' ' L' ' 10' ' ' TYR . 20.6 mt -138.76 136.61 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.92 126.28 20.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.245 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.54 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.26 139.28 33.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.381 . . . . 0.0 111.839 -179.277 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.597 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.25 6.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 179.571 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.768 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -114.03 120.77 41.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.442 179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 11.4 m -129.22 69.55 81.18 Favored Pre-proline 0 CA--C 1.529 0.137 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.5 Cg_endo -66.4 145.28 76.79 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.51 2.14 . . . . 0.0 112.081 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.574 ' H ' HG21 ' L' ' 2' ' ' THR . 16.8 m-85 -132.53 137.12 47.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.917 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.557 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.649 0.261 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.19 37.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.404 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.486 HD11 ' HE1' ' M' ' 10' ' ' TYR . 22.2 mt -138.65 136.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 126.07 19.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.231 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.53 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.33 139.41 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.909 0.385 . . . . 0.0 111.891 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.46 103.02 5.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.851 179.606 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.775 ' HB3' HD12 ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.6 120.87 42.42 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.607 0.241 . . . . 0.0 110.444 179.089 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 13.8 m -129.62 69.94 81.68 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.917 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' F' ' 9' ' ' PRO . 38.6 Cg_endo -67.14 145.1 71.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.43 2.086 . . . . 0.0 111.931 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.547 ' H ' HG21 ' M' ' 2' ' ' THR . 16.0 m-85 -131.59 137.31 48.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.952 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.599 ' HA ' ' HB3' ' F' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.87 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.557 ' H3 ' ' HD1' ' E' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.767 0.318 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.28 37.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.378 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.472 HD11 ' CE1' ' N' ' 10' ' ' TYR . 24.6 mt -138.96 136.78 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.22 126.3 19.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.211 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.539 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.4 139.22 33.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.718 -179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.644 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 102.89 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.805 179.586 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.788 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.49 120.91 42.62 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.631 0.253 . . . . 0.0 110.487 179.122 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 11.7 m -129.81 69.78 81.74 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.514 ' HG2' ' HA ' ' E' ' 9' ' ' PRO . 40.4 Cg_endo -67.0 145.1 72.67 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.379 2.053 . . . . 0.0 111.913 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.514 ' H ' HG21 ' N' ' 2' ' ' THR . 15.2 m-85 -131.26 137.95 49.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.961 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 3.9 t . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.492 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.3 m-85 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.797 0.332 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.32 140.56 37.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.365 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.3 mt -138.91 136.87 42.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.25 126.13 19.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.266 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.568 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.36 139.15 33.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.925 0.393 . . . . 0.0 111.863 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.56 102.9 5.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.796 179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.788 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.82 121.02 42.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.612 0.244 . . . . 0.0 110.546 179.175 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -129.99 69.57 81.8 Favored Pre-proline 0 C--O 1.232 0.135 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.49 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 41.8 Cg_endo -67.52 143.35 62.57 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.381 2.054 . . . . 0.0 111.805 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -128.79 138.48 52.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.086 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.652 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 4.1 t . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.693 0.282 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.01 140.32 38.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.545 HD11 ' CE1' ' P' ' 10' ' ' TYR . 29.0 mt -138.74 135.96 43.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.207 0.527 . . . . 0.0 111.464 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.04 124.76 18.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.611 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.526 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -140.41 138.21 34.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.136 0.493 . . . . 0.0 111.635 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.639 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.07 6.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.691 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.5 121.06 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.694 0.283 . . . . 0.0 110.431 179.259 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.0 m -129.76 69.29 81.5 Favored Pre-proline 0 C--N 1.332 -0.154 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.477 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.2 Cg_endo -67.06 143.61 66.24 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.327 2.018 . . . . 0.0 111.748 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -128.6 137.28 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . 0.634 ' HB3' ' HA ' ' G' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.826 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.745 0.307 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.1 140.74 38.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.396 -179.805 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 31.3 mt -138.85 136.15 42.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.155 0.503 . . . . 0.0 111.593 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.63 121.25 14.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.632 179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.0 139.05 39.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.036 0.446 . . . . 0.0 111.525 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.91 6.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.061 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.65 120.82 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 179.231 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 13.7 m -129.15 68.9 80.65 Favored Pre-proline 0 C--O 1.232 0.132 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.53 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 39.3 Cg_endo -67.26 145.02 70.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.561 2.174 . . . . 0.0 112.213 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.419 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.4 m-85 -129.99 142.34 50.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.135 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.695 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 3.7 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.894 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.699 0.285 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.554 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.21 140.84 37.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.457 -179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 mt -139.2 136.68 41.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.037 0.446 . . . . 0.0 111.486 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.59 123.41 16.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.44 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.08 35.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.896 0.379 . . . . 0.0 111.377 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.78 103.95 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.04 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.71 120.9 43.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.709 -0.223 . . . . 0.0 110.405 179.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 9.2 m -129.61 69.35 81.39 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.742 0.306 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 40.9 Cg_endo -67.96 145.34 67.57 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.481 2.121 . . . . 0.0 112.153 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.487 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 17.6 m-85 -130.58 143.0 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.695 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 4.3 t . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.805 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.4 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.7 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.782 0.325 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.533 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.38 140.68 37.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.423 -179.772 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.44 136.73 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.433 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.69 123.52 16.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.275 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.94 139.29 36.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.825 0.345 . . . . 0.0 111.344 -179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 103.53 6.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.97 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.75 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -112.05 120.69 42.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.39 179.325 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 8.4 m -129.91 69.38 81.66 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-O 120.719 0.295 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -68.17 145.33 66.24 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.525 2.15 . . . . 0.0 112.185 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.513 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 17.7 m-85 -130.41 142.73 50.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 4.8 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.657 ' H3 ' ' HD1' ' M' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.711 0.291 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.574 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.56 140.46 37.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.422 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 31.7 mt -139.56 136.88 40.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.414 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.73 123.57 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.368 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.0 139.33 36.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.889 0.376 . . . . 0.0 111.261 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.634 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.9 6.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.916 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.724 ' HB3' HD12 ' K' ' 7' ' ' LEU . 0.0 OUTLIER -112.92 120.51 41.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.576 0.227 . . . . 0.0 110.5 179.377 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 11.9 m -129.13 68.87 80.59 Favored Pre-proline 0 CA--C 1.528 0.132 0 CA-C-O 120.708 0.29 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.547 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 39.0 Cg_endo -67.53 145.49 70.77 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.533 2.155 . . . . 0.0 112.224 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.519 ' CE1' HD11 ' D' ' 3' ' ' ILE . 17.8 m-85 -131.08 142.12 50.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.677 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 4.7 t . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.657 ' HD1' ' H3 ' ' L' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.547 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.457 -179.676 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 mt -139.84 136.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.357 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.84 122.99 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.365 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.54 139.24 36.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 111.403 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.61 HD13 ' O ' ' N' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.93 6.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.041 -179.849 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.721 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.03 120.84 42.75 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.173 -0.211 . . . . 0.0 110.449 179.375 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 12.4 m -129.6 68.58 80.64 Favored Pre-proline 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.566 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 38.0 Cg_endo -67.22 145.56 72.9 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.674 2.25 . . . . 0.0 112.211 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.504 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -131.32 142.29 50.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 5.4 t . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.712 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.718 0.294 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.514 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.62 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.589 -179.485 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mt -140.59 136.65 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.348 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.64 123.23 16.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.218 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.41 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.937 0.398 . . . . 0.0 111.538 -179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.631 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -132.24 104.25 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.978 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.96 120.7 41.54 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.426 179.362 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 9.5 m -129.95 68.91 81.44 Favored Pre-proline 0 CA--C 1.529 0.141 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.566 ' HB3' ' HG2' ' M' ' 9' ' ' PRO . 37.8 Cg_endo -66.98 145.82 75.26 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.664 2.242 . . . . 0.0 112.228 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.492 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 17.8 m-85 -131.78 141.12 49.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.813 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' M' ' 11' ' ' SER . 5.0 t . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.712 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.61 140.93 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.513 -179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -141.01 136.79 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.504 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.8 123.04 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.275 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.03 139.29 37.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.86 0.362 . . . . 0.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.644 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.71 6.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.697 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -114.5 120.53 40.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.442 179.416 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -129.68 68.88 81.13 Favored Pre-proline 0 C--O 1.231 0.116 0 CA-C-O 120.777 0.323 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.548 ' HB3' ' HG2' ' N' ' 9' ' ' PRO . 37.6 Cg_endo -66.92 146.02 76.28 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.633 2.222 . . . . 0.0 112.194 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.555 ' CE1' HD11 ' G' ' 3' ' ' ILE . 17.7 m-85 -132.29 141.59 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.619 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.643 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 5.3 t . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.634 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.794 0.331 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.23 140.69 37.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mt -140.01 137.37 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.373 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.48 122.74 15.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.328 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.95 139.04 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.737 0.303 . . . . 0.0 111.536 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.644 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.74 107.87 9.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.599 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.17 120.67 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.489 179.598 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 13.4 m -129.73 70.94 82.19 Favored Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.517 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 47.0 Cg_endo -69.0 145.24 60.91 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.562 2.175 . . . . 0.0 112.187 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.545 ' CE1' HD11 ' H' ' 3' ' ' ILE . 18.8 m-85 -132.87 141.14 48.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.677 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 6.6 t . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.909 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.742 0.306 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.11 37.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.347 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' I' ' 8' ' ' SER . 21.8 mt -138.39 137.32 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.933 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.17 128.37 23.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.404 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.601 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.41 138.89 33.28 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.71 103.7 6.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.889 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.722 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.61 120.95 43.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.629 0.252 . . . . 0.0 110.614 179.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.1 m -128.61 69.8 79.72 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.715 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.647 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 38.2 Cg_endo -66.69 141.62 60.73 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.689 2.259 . . . . 0.0 112.179 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' N ' HG21 ' I' ' 2' ' ' THR . 11.2 m-85 -132.35 141.9 49.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.823 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.477 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.745 0.307 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.11 140.39 37.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.518 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' J' ' 8' ' ' SER . 24.7 mt -138.29 137.21 44.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.6 127.89 22.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.307 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 139.13 33.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 111.821 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.597 ' O ' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.75 103.48 6.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.833 179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.722 HD12 ' HB3' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.81 120.72 41.74 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.385 179.121 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.7 m -128.87 69.1 80.21 Favored Pre-proline 0 N--CA 1.456 -0.142 0 CA-C-O 120.791 0.329 . . . . 0.0 110.66 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.647 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 34.2 Cg_endo -65.37 145.07 82.34 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.517 2.144 . . . . 0.0 112.037 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.551 ' N ' HG21 ' J' ' 2' ' ' THR . 10.6 m-85 -134.8 141.55 46.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.721 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.017 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.555 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.76 0.314 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.14 37.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.381 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.48 HD13 ' HB2' ' K' ' 8' ' ' SER . 26.1 mt -137.96 137.23 44.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.055 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.08 128.13 22.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.326 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.567 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.19 139.37 33.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.872 0.367 . . . . 0.0 111.951 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.614 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.28 6.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.856 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.02 120.71 41.54 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.434 179.108 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 50.1 m -129.09 68.9 80.59 Favored Pre-proline 0 C--O 1.232 0.179 0 CA-C-O 120.707 0.289 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.58 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 32.8 Cg_endo -64.5 145.36 87.45 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.511 2.14 . . . . 0.0 112.021 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.54 ' H ' HG21 ' K' ' 2' ' ' THR . 10.1 m-85 -134.76 139.5 45.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' D' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.648 0.261 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.88 140.41 38.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.381 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.495 HD13 ' HB2' ' L' ' 8' ' ' SER . 30.7 mt -138.25 137.31 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.89 128.47 22.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.344 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.581 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.28 138.84 33.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.857 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.614 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.42 6.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.887 179.637 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.749 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -114.35 120.82 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.686 0.279 . . . . 0.0 110.44 179.143 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 44.2 m -129.3 68.98 80.91 Favored Pre-proline 0 CA--C 1.528 0.115 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 34.8 Cg_endo -65.37 145.29 82.85 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.397 2.065 . . . . 0.0 112.056 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.571 ' H ' HG21 ' L' ' 2' ' ' THR . 10.5 m-85 -134.39 138.37 44.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.904 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.407 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.49 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.745 0.307 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.06 37.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.316 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' M' ' 8' ' ' SER . 28.5 mt -138.05 137.29 44.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.053 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 128.17 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.431 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.565 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.16 33.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.974 0.416 . . . . 0.0 111.907 -179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.6 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.47 103.63 6.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.749 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -114.3 120.81 41.67 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.49 179.122 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 50.0 m -129.34 68.59 80.39 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 34.2 Cg_endo -64.95 145.23 85.15 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.52 2.146 . . . . 0.0 111.878 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.523 ' H ' HG21 ' M' ' 2' ' ' THR . 10.1 m-85 -134.19 138.87 45.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.481 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.3 m-85 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.735 0.303 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.21 37.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.278 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' N' ' 10' ' ' TYR . 29.0 mt -138.25 137.17 44.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.14 127.9 21.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.38 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.556 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.35 139.21 33.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.385 . . . . 0.0 111.852 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.61 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.55 103.31 6.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.912 179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.781 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.8 120.92 42.43 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.493 178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -129.64 68.56 80.65 Favored Pre-proline 0 C--N 1.333 -0.138 0 CA-C-O 120.717 0.294 . . . . 0.0 110.731 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.528 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 36.7 Cg_endo -65.21 145.18 83.54 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.443 2.095 . . . . 0.0 111.784 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.498 ' H ' HG21 ' N' ' 2' ' ' THR . 9.5 m-85 -133.34 138.76 46.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . 0.441 ' HA ' ' HB3' ' G' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.85 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.792 0.329 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.06 140.19 37.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.256 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.534 HD11 ' CE1' ' O' ' 10' ' ' TYR . 29.6 mt -137.98 137.05 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.26 127.73 21.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.298 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.573 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 138.94 33.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.007 0.432 . . . . 0.0 111.695 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.77 103.12 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.027 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.93 120.97 42.52 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.474 179.102 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 46.5 m -129.66 68.73 80.92 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.758 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.528 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 37.5 Cg_endo -65.92 145.04 78.93 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.363 2.042 . . . . 0.0 111.865 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.454 ' H ' HG21 ' O' ' 2' ' ' THR . 9.8 m-85 -132.83 136.9 46.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.178 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . 0.441 ' HB3' ' HA ' ' F' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.827 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.769 0.319 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.38 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.398 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' P' ' 8' ' ' SER . 39.2 mt -137.5 136.58 46.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 121.147 0.499 . . . . 0.0 111.362 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.58 19.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.646 179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.541 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -139.84 137.6 35.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.147 0.498 . . . . 0.0 111.615 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.72 103.23 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.718 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.75 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -115.66 120.99 41.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.727 0.298 . . . . 0.0 110.543 179.263 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 46.4 m -129.62 68.17 80.1 Favored Pre-proline 0 C--N 1.333 -0.117 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.494 ' HG2' ' HA ' ' G' ' 9' ' ' PRO . 37.7 Cg_endo -65.23 142.57 74.03 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.425 2.083 . . . . 0.0 111.653 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -129.94 137.18 50.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.88 0.371 . . . . 0.0 111.502 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.89 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.752 0.311 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.558 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.7 37.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.429 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 mt -137.79 136.75 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 111.625 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 122.96 16.02 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.651 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.1 138.83 39.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.098 0.475 . . . . 0.0 111.568 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.635 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.9 105.45 7.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.121 -179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.98 120.89 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.646 0.26 . . . . 0.0 110.457 179.222 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.473 ' HB2' HD13 ' A' ' 3' ' ' ILE . 51.0 m -129.0 68.19 79.44 Favored Pre-proline 0 C--O 1.231 0.125 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.829 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.538 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 36.3 Cg_endo -65.72 145.13 80.39 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.481 2.12 . . . . 0.0 112.067 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.477 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 10.3 m-85 -132.12 142.17 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.724 0.297 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.551 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.28 140.54 37.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.401 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mt -138.41 137.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.418 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.42 124.71 17.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.426 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.36 139.16 37.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 111.308 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.657 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 104.46 6.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.181 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -113.13 120.98 43.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.487 179.4 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.49 ' HB2' HD13 ' B' ' 3' ' ' ILE . 49.0 m -129.75 68.35 80.49 Favored Pre-proline 0 CA--C 1.528 0.124 0 CA-C-O 120.713 0.292 . . . . 0.0 110.914 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.538 ' HA ' ' HG2' ' I' ' 9' ' ' PRO . 36.5 Cg_endo -65.7 145.38 81.17 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.559 2.173 . . . . 0.0 112.176 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.555 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 10.8 m-85 -133.04 141.99 48.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.452 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.468 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 18.4 m-85 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.54 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.47 140.63 37.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.489 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 mt -138.37 137.09 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.314 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.66 125.1 17.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.39 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.9 139.32 36.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.0 111.448 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.657 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.1 104.39 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.041 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.702 ' HB3' HD12 ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.05 120.66 42.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.611 0.243 . . . . 0.0 110.474 179.292 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . 0.48 ' HB2' HD13 ' C' ' 3' ' ' ILE . 48.9 m -129.62 68.24 80.2 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-O 120.674 0.273 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.535 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 37.2 Cg_endo -66.01 145.49 79.71 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.559 2.173 . . . . 0.0 112.172 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 10.1 m-85 -133.16 142.35 48.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.268 -0.873 . . . . 0.0 110.818 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.468 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 18.7 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.735 0.302 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.571 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.45 140.51 37.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.419 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 38.6 mt -138.88 137.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 111.331 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.55 125.9 18.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.396 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.52 139.27 35.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.348 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.49 104.57 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.996 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.42 120.58 41.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.599 0.238 . . . . 0.0 110.43 179.269 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . 0.495 ' HB2' HD13 ' D' ' 3' ' ' ILE . 49.8 m -129.66 68.27 80.28 Favored Pre-proline 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.563 ' HG2' ' HA ' ' M' ' 9' ' ' PRO . 36.7 Cg_endo -65.96 145.66 80.47 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.534 2.156 . . . . 0.0 112.312 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.49 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 10.7 m-85 -133.43 141.99 48.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.496 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.523 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.35 140.72 37.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.491 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 39.9 mt -139.9 137.06 38.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.074 0.464 . . . . 0.0 111.42 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.442 ' HB1' HD12 ' F' ' 7' ' ' LEU . . . -140.66 125.91 18.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.392 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.3 139.24 35.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 111.458 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 104.53 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.989 -179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.698 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.62 41.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.569 0.223 . . . . 0.0 110.436 179.256 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . 0.478 ' HB2' HD13 ' E' ' 3' ' ' ILE . 48.9 m -129.62 68.26 80.22 Favored Pre-proline 0 CA--C 1.528 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.563 ' HA ' ' HG2' ' L' ' 9' ' ' PRO . 36.2 Cg_endo -65.8 145.37 80.59 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.526 2.151 . . . . 0.0 112.229 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 10.7 m-85 -133.76 141.14 47.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.797 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.584 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.498 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.44 140.75 37.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.53 -179.446 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 40.9 mt -140.24 137.12 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.405 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.62 125.63 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.35 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.8 139.26 36.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 111.498 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.619 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.59 104.34 6.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.038 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.708 HD12 ' HB3' ' O' ' 7' ' ' LEU . 0.0 OUTLIER -113.74 120.64 41.51 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.074 -0.25 . . . . 0.0 110.457 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . 0.468 ' HB2' HD13 ' F' ' 3' ' ' ILE . 44.2 m -129.78 68.08 80.16 Favored Pre-proline 0 CA--C 1.529 0.169 0 CA-C-O 120.77 0.319 . . . . 0.0 110.79 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.556 ' HG2' ' HA ' ' O' ' 9' ' ' PRO . 35.6 Cg_endo -65.73 145.61 81.59 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.555 2.17 . . . . 0.0 112.289 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.0 m-85 -133.73 141.43 47.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.847 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.584 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.491 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.52 140.75 37.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.647 -179.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt -140.32 136.99 37.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.319 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' P' ' 4' ' ' ALA . . . -140.74 124.73 17.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.378 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.29 139.05 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 111.442 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.625 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 106.54 7.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.726 HD12 ' HB3' ' P' ' 7' ' ' LEU . 0.0 OUTLIER -115.96 120.43 39.14 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 121.091 -0.244 . . . . 0.0 110.528 179.364 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . 0.471 ' HB2' HD13 ' G' ' 3' ' ' ILE . 38.4 m -128.83 67.87 78.24 Favored Pre-proline 0 C--O 1.232 0.149 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.766 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' P' ' 9' ' ' PRO . 33.5 Cg_endo -65.36 145.68 83.85 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.581 2.187 . . . . 0.0 112.204 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.0 m-85 -134.47 142.01 46.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.696 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.414 ' HB3' ' HA ' ' P' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.423 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.55 140.59 39.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.452 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt -138.97 137.58 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.299 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.28 125.09 18.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.454 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.32 139.16 35.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.697 0.284 . . . . 0.0 111.616 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.625 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.95 108.08 9.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.776 179.675 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.726 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -116.03 120.72 40.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.546 179.465 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.485 ' HB2' HD13 ' H' ' 3' ' ' ILE . 49.8 m -130.01 70.51 82.14 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' O' ' 9' ' ' PRO . 39.8 Cg_endo -67.53 144.68 67.81 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.515 2.143 . . . . 0.0 112.335 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' H' ' 3' ' ' ILE . 12.3 m-85 -134.32 141.26 46.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.2 140.54 37.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.5 mt -138.53 137.35 43.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.26 126.48 21.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.306 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.579 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.42 139.57 33.46 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 ' O ' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.09 103.67 6.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.697 179.103 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.762 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.27 120.83 43.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.55 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.9 m -129.02 70.85 81.86 Favored Pre-proline 0 N--CA 1.456 -0.138 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.531 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.3 Cg_endo -68.19 144.31 62.41 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.591 2.194 . . . . 0.0 112.127 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.598 ' N ' HG21 ' I' ' 2' ' ' THR . 19.7 m-85 -134.0 142.0 47.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.571 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.277 -0.868 . . . . 0.0 111.066 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.568 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.6 m-85 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.729 0.3 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.25 140.28 37.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.546 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mt -137.9 137.45 44.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.01 126.05 19.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.241 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.516 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.14 140.09 34.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 0.0 111.889 -179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.16 103.23 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.646 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -113.31 120.7 42.04 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.075 -0.25 . . . . 0.0 110.475 179.278 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -128.75 70.08 80.45 Favored Pre-proline 0 C--N 1.332 -0.153 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' HG2' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.81 145.21 74.15 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.425 2.083 . . . . 0.0 112.146 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.576 ' N ' HG21 ' J' ' 2' ' ' THR . 17.4 m-85 -133.88 139.91 46.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.759 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.303 -0.856 . . . . 0.0 111.027 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.55 ' HD2' ' HE2' ' J' ' 10' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.713 0.292 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.29 140.44 37.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.466 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt -137.72 137.3 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.75 126.22 20.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.19 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.529 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.31 139.79 33.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 111.944 -179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.01 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.693 179.645 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.777 ' HB3' HD12 ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.2 120.93 42.94 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.118 -0.233 . . . . 0.0 110.469 179.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 39.5 m -129.33 69.91 81.47 Favored Pre-proline 0 C--N 1.333 -0.136 0 CA-C-O 120.747 0.308 . . . . 0.0 110.808 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.553 ' HG2' ' HA ' ' B' ' 9' ' ' PRO . 38.0 Cg_endo -66.98 145.2 73.11 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.097 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.539 ' H ' HG21 ' K' ' 2' ' ' THR . 17.6 m-85 -133.45 139.01 46.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.592 ' HD2' ' HE2' ' K' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.746 0.307 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.11 37.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.337 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.4 mt -137.68 137.33 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 125.98 19.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.271 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.531 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.32 139.68 33.65 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.602 ' HB3' HD13 ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.32 103.11 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.728 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.784 ' HB3' HD12 ' E' ' 7' ' ' LEU . 0.0 OUTLIER -113.07 120.85 42.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.562 0.22 . . . . 0.0 110.541 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 42.8 m -129.36 69.88 81.47 Favored Pre-proline 0 C--O 1.231 0.105 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 38.0 Cg_endo -66.79 145.46 75.1 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.526 2.15 . . . . 0.0 112.116 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.609 ' H ' HG21 ' L' ' 2' ' ' THR . 16.4 m-85 -133.22 137.6 46.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.952 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.188 -0.911 . . . . 0.0 110.862 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.516 ' HD2' ' HE2' ' L' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.661 0.267 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.16 140.48 37.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.377 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' M' ' 10' ' ' TYR . 34.0 mt -138.04 137.31 44.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.68 126.18 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.255 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.546 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.44 139.55 33.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 0.0 111.927 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.602 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 103.16 6.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.677 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.784 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.93 42.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.559 0.219 . . . . 0.0 110.541 179.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -129.32 69.81 81.4 Favored Pre-proline 0 N--CA 1.456 -0.165 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.524 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 37.9 Cg_endo -66.99 145.25 73.22 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 111.95 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.544 ' H ' HG21 ' M' ' 2' ' ' THR . 16.9 m-85 -132.89 138.89 47.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.799 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.521 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 21.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.621 0.248 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 140.39 37.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.372 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.486 HD11 ' CE1' ' N' ' 10' ' ' TYR . 35.8 mt -138.08 137.41 44.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.229 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.9 126.12 19.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.252 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.559 ' CB ' ' HG ' ' N' ' 6' ' ' LEU . . . -141.56 139.64 33.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.922 0.392 . . . . 0.0 111.911 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.616 ' HB3' HD13 ' G' ' 6' ' ' LEU . 0.0 OUTLIER -132.37 103.01 5.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.785 179.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.783 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.45 121.05 43.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.635 0.255 . . . . 0.0 110.436 179.194 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 50.5 m -129.79 69.42 81.58 Favored Pre-proline 0 N--CA 1.457 -0.113 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.965 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' G' ' 9' ' ' PRO . 38.5 Cg_endo -66.69 145.39 75.47 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.509 2.139 . . . . 0.0 111.903 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.505 ' H ' HG21 ' N' ' 2' ' ' THR . 16.0 m-85 -132.55 138.12 47.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.035 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.5 ' HD2' ' HE2' ' N' ' 10' ' ' TYR . 20.8 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.762 0.315 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.33 37.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.272 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.462 HD11 ' HE1' ' O' ' 10' ' ' TYR . 42.6 mt -137.78 137.31 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.354 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.2 126.02 19.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.215 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.544 ' CB ' ' HG ' ' O' ' 6' ' ' LEU . . . -141.42 139.57 33.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 111.834 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' F' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 102.95 6.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.7 179.428 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.53 120.85 42.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.678 0.275 . . . . 0.0 110.447 179.338 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.6 m -129.71 69.85 81.7 Favored Pre-proline 0 CA--C 1.529 0.139 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' HA ' ' F' ' 9' ' ' PRO . 42.2 Cg_endo -67.55 145.23 69.74 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.377 2.051 . . . . 0.0 111.735 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.426 ' H ' HG21 ' O' ' 2' ' ' THR . 14.7 m-85 -131.85 138.54 48.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.7 0.286 . . . . 0.0 111.185 -179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.83 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . 0.442 ' HD2' ' HE2' ' O' ' 10' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.714 0.293 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.27 140.46 37.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.302 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.417 HD13 ' HB2' ' P' ' 8' ' ' SER . 41.1 mt -137.72 137.01 45.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.49 . . . . 0.0 111.349 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.96 125.16 18.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.578 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.548 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.02 139.06 34.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.21 0.529 . . . . 0.0 111.693 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.594 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.64 103.17 6.23 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.579 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.762 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.97 120.82 41.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.741 0.305 . . . . 0.0 110.481 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 37.4 m -129.67 69.07 81.33 Favored Pre-proline 0 C--O 1.231 0.119 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.726 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.488 ' HB2' ' CG2' ' O' ' 2' ' ' THR . 42.3 Cg_endo -66.96 143.06 64.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.356 2.038 . . . . 0.0 111.667 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -128.94 138.72 52.15 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.879 0.371 . . . . 0.0 111.533 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.855 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.755 0.312 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.598 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -138.81 140.61 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.398 -179.802 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 43.3 mt -137.45 136.99 46.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.246 0.546 . . . . 0.0 111.566 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.24 122.26 15.66 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.515 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.5 139.35 36.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.587 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.616 HD13 ' HB3' ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.36 104.47 7.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.03 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.719 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -114.0 120.8 41.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.615 0.245 . . . . 0.0 110.5 179.41 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 36.4 m -129.3 69.98 81.48 Favored Pre-proline 0 C--O 1.231 0.126 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.473 ' HG2' ' HA ' ' J' ' 9' ' ' PRO . 41.6 Cg_endo -67.95 145.43 67.96 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.462 2.108 . . . . 0.0 112.053 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 19.7 m-85 -131.17 141.87 50.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.194 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.78 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.779 0.323 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.576 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.64 37.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.297 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 43.9 mt -137.96 137.21 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.457 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.28 123.56 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.32 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.49 139.65 35.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 111.423 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.642 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 103.91 6.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.964 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.719 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.25 120.8 42.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.511 179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 41.0 m -129.36 70.3 81.7 Favored Pre-proline 0 CA--C 1.529 0.147 0 CA-C-O 120.709 0.29 . . . . 0.0 110.796 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.506 ' HG2' ' HA ' ' K' ' 9' ' ' PRO . 44.6 Cg_endo -68.92 145.25 61.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 19.4 m-85 -131.44 142.13 49.94 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.481 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.788 0.327 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.539 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.27 140.85 37.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.444 -179.794 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.53 137.02 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.426 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.43 123.71 16.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.256 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.67 139.6 34.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.897 0.38 . . . . 0.0 111.392 -179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.642 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -131.53 103.67 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.72 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.58 120.91 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.464 179.463 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 39.1 m -129.7 69.83 81.68 Favored Pre-proline 0 CA--C 1.528 0.102 0 CA-C-O 120.704 0.288 . . . . 0.0 110.827 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.507 ' HG2' ' HB3' ' L' ' 9' ' ' PRO . 45.5 Cg_endo -68.72 145.36 62.98 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.466 2.111 . . . . 0.0 112.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.592 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 19.7 m-85 -131.81 142.3 49.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.968 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.481 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 20.4 m-85 . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.768 0.318 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.609 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.48 140.59 37.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.448 -179.777 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 43.8 mt -138.52 137.06 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.474 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.53 123.72 16.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.285 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.81 139.58 34.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.916 0.389 . . . . 0.0 111.456 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.625 HD13 ' HB3' ' M' ' 6' ' ' LEU . 0.0 OUTLIER -131.58 104.1 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.898 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.729 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.01 120.88 43.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.51 179.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 31.2 m -129.6 69.68 81.54 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.71 0.29 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.507 ' HB3' ' HG2' ' K' ' 9' ' ' PRO . 43.2 Cg_endo -68.36 145.3 65.04 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.597 2.198 . . . . 0.0 112.23 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.516 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 18.4 m-85 -132.26 142.17 49.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.62 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.544 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.3 140.62 37.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.524 -179.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -139.76 137.05 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.463 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.61 123.64 16.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.181 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.1 139.62 35.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.845 0.355 . . . . 0.0 111.471 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -131.7 103.84 6.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.883 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.729 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.34 120.62 42.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.588 0.233 . . . . 0.0 110.453 179.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -129.71 69.77 81.66 Favored Pre-proline 0 C--O 1.232 0.143 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.537 ' HG2' ' HB3' ' N' ' 9' ' ' PRO . 43.4 Cg_endo -68.25 145.59 66.65 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.576 2.184 . . . . 0.0 112.192 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.521 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 18.3 m-85 -132.2 141.86 49.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.62 ' HD1' ' H3 ' ' M' ' 1' ' ' TYR . 20.7 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.756 0.312 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.505 HG21 ' H ' ' F' ' 10' ' ' TYR . 0.2 OUTLIER -139.51 140.72 37.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.564 -179.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.77 137.15 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' O' ' 4' ' ' ALA . . . -140.81 122.76 15.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.327 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.35 139.69 37.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.943 0.402 . . . . 0.0 111.472 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.641 HD13 ' O ' ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.82 104.17 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.901 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.713 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.01 120.56 41.8 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.142 -0.223 . . . . 0.0 110.582 179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 44.8 m -129.5 69.33 81.29 Favored Pre-proline 0 CA--C 1.528 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' O' ' 9' ' ' PRO . 40.6 Cg_endo -67.61 145.85 71.49 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.672 2.248 . . . . 0.0 112.201 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.5 ' HE2' ' HD2' ' G' ' 1' ' ' TYR . 18.8 m-85 -133.04 141.98 48.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.749 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.652 ' H3 ' ' HD1' ' P' ' 1' ' ' TYR . 20.9 m-85 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.786 0.327 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.62 140.74 37.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.608 -179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 45.9 mt -139.99 137.05 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.55 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' N' ' 4' ' ' ALA . . . -140.55 123.7 16.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.135 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.7 139.58 34.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.957 0.408 . . . . 0.0 111.601 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.651 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -131.68 104.94 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.839 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.691 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.62 120.51 41.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.649 0.262 . . . . 0.0 110.403 179.448 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 39.8 m -129.62 69.67 81.55 Favored Pre-proline 0 CA--C 1.528 0.117 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.58 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 39.8 Cg_endo -67.72 145.76 70.49 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.647 2.231 . . . . 0.0 112.229 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.462 ' HE1' HD11 ' G' ' 3' ' ' ILE . 20.3 m-85 -133.25 142.1 48.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.697 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.652 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.752 0.31 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.19 140.87 37.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.434 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 44.4 mt -139.48 137.77 40.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.339 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' O' ' 4' ' ' ALA . . . -140.05 123.74 17.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.152 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.54 35.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.729 0.3 . . . . 0.0 111.605 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.651 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.37 107.56 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 179.563 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.685 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.99 120.66 40.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 179.653 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . 0.417 ' HB2' HD13 ' H' ' 3' ' ' ILE . 42.6 m -129.94 71.59 82.14 Favored Pre-proline 0 CA--C 1.528 0.135 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.812 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.58 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 49.5 Cg_endo -69.41 145.25 58.57 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.593 2.196 . . . . 0.0 112.173 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.411 ' CE1' HD11 ' H' ' 3' ' ' ILE . 21.7 m-85 -133.91 141.56 47.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.557 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.19 -0.91 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.772 0.32 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.76 140.35 38.61 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.355 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.4 mt -138.86 137.3 42.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.08 127.27 22.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.24 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.615 ' CB ' ' HG ' ' I' ' 6' ' ' LEU . . . -141.49 139.19 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.606 ' HB3' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -132.54 103.58 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.951 179.168 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' HB3' HD12 ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.06 120.86 43.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.418 179.265 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.44 69.78 81.47 Favored Pre-proline 0 C--O 1.232 0.17 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.781 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.593 ' HA ' ' HG2' ' B' ' 9' ' ' PRO . 44.2 Cg_endo -68.04 141.69 53.87 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.517 2.144 . . . . 0.0 112.148 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' N ' HG21 ' I' ' 2' ' ' THR . 11.8 m-85 -130.56 142.81 50.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.807 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' TYR . . . . . 0.511 ' HD2' ' HE2' ' I' ' 10' ' ' TYR . 21.1 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.695 0.283 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.22 140.25 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.843 0.354 . . . . 0.0 111.449 -179.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.6 mt -138.15 136.97 44.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.5 127.19 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.276 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.571 ' CB ' ' HG ' ' J' ' 6' ' ' LEU . . . -141.61 139.5 33.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 111.91 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.609 ' HB3' HD13 ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.4 102.89 5.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.928 179.53 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.776 ' HB3' HD12 ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.51 120.68 42.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.024 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.78 69.48 81.59 Favored Pre-proline 0 C--N 1.333 -0.119 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.853 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' A' ' 9' ' ' PRO . 38.2 Cg_endo -66.8 145.05 73.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.341 2.028 . . . . 0.0 112.001 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.518 ' N ' HG21 ' J' ' 2' ' ' THR . 11.6 m-85 -133.18 140.59 47.65 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.904 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . 0.463 ' HA ' ' HB3' ' C' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' TYR . . . . . 0.536 ' HD1' ' H3 ' ' D' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.708 0.29 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.31 140.35 37.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.387 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.25 137.13 44.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.0 126.94 20.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.274 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ALA . . . . . 0.561 ' CB ' ' HG ' ' K' ' 6' ' ' LEU . . . -141.45 139.41 33.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.87 0.367 . . . . 0.0 111.922 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.615 ' HB3' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.31 102.97 5.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . 0.776 HD12 ' HB3' ' B' ' 7' ' ' LEU . 0.0 OUTLIER -112.8 120.97 43.29 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 179.041 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 68.63 81.07 Favored Pre-proline 0 C--O 1.232 0.136 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.936 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' PRO . . . . . 0.564 ' HA ' ' HG2' ' D' ' 9' ' ' PRO . 36.5 Cg_endo -65.9 144.89 78.52 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.441 2.094 . . . . 0.0 111.98 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.548 ' H ' HG21 ' K' ' 2' ' ' THR . 11.3 m-85 -132.84 139.61 47.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.865 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.463 ' HB3' ' HA ' ' B' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' TYR . . . . . 0.536 ' H3 ' ' HD1' ' C' ' 1' ' ' TYR . 19.9 m-85 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.14 140.31 37.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.344 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.405 HD11 ' CE1' ' L' ' 10' ' ' TYR . 24.6 mt -138.25 137.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.15 126.62 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.256 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ALA . . . . . 0.562 ' CB ' ' HG ' ' L' ' 6' ' ' LEU . . . -141.38 139.52 33.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 0.0 111.896 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.615 HD13 ' HB3' ' C' ' 6' ' ' LEU . 0.0 OUTLIER -132.44 103.16 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.98 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.772 HD12 ' HB3' ' C' ' 7' ' ' LEU . 0.0 OUTLIER -112.95 121.02 43.41 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.02 68.61 81.13 Favored Pre-proline 0 C--N 1.333 -0.125 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' PRO . . . . . 0.564 ' HG2' ' HA ' ' C' ' 9' ' ' PRO . 37.0 Cg_endo -66.08 144.98 77.8 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.414 2.076 . . . . 0.0 111.95 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.53 ' H ' HG21 ' L' ' 2' ' ' THR . 11.2 m-85 -132.32 139.59 48.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.968 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . 0.445 ' HB3' ' HA ' ' C' ' 11' ' ' SER . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.501 ' HD1' ' H3 ' ' F' ' 1' ' ' TYR . 20.1 m-85 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.679 0.276 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.28 140.25 37.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.384 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . 0.457 HD11 ' CE1' ' M' ' 10' ' ' TYR . 32.2 mt -138.18 137.23 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.94 126.92 20.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.224 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' ALA . . . . . 0.586 ' CB ' ' HG ' ' M' ' 6' ' ' LEU . . . -141.45 139.4 33.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.357 . . . . 0.0 111.872 -179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' D' ' 6' ' ' LEU . 0.0 OUTLIER -132.58 103.2 6.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.891 179.633 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' LEU . . . . . 0.747 HD12 ' HB3' ' D' ' 7' ' ' LEU . 0.0 OUTLIER -113.27 120.85 42.6 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.015 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.19 68.81 81.54 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.505 ' HG2' ' HA ' ' D' ' 9' ' ' PRO . 38.2 Cg_endo -66.61 145.06 74.85 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.374 2.049 . . . . 0.0 111.828 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.47 ' H ' HG21 ' M' ' 2' ' ' THR . 10.5 m-85 -132.11 139.21 48.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . 0.432 ' HB3' ' HA ' ' D' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.962 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 1' ' ' TYR . . . . . 0.505 ' HD2' ' HE2' ' M' ' 10' ' ' TYR . 19.2 m-85 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 120.707 0.289 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.21 140.2 37.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.315 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . 0.489 HD11 ' CE1' ' N' ' 10' ' ' TYR . 28.4 mt -138.14 137.16 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.95 126.52 20.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.244 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' M' ' 6' ' ' LEU . . . -141.36 139.39 33.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 0.0 111.834 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' E' ' 6' ' ' LEU . 0.0 OUTLIER -132.3 103.14 6.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.007 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 7' ' ' LEU . . . . . 0.738 ' HB3' HD12 ' G' ' 7' ' ' LEU . 0.0 OUTLIER -113.06 120.82 42.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 178.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.28 69.05 81.89 Favored Pre-proline 0 C--O 1.231 0.131 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 9' ' ' PRO . . . . . 0.532 ' HB3' ' HG2' ' G' ' 9' ' ' PRO . 41.6 Cg_endo -67.24 145.1 71.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.362 2.041 . . . . 0.0 111.681 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.416 ' H ' HG21 ' N' ' 2' ' ' THR . 10.4 m-85 -131.69 140.01 49.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.04 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' TYR . . . . . 0.466 ' H3 ' ' HD1' ' F' ' 1' ' ' TYR . 19.4 m-85 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.71 0.29 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 140.08 37.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.363 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' ILE . . . . . 0.47 HD11 ' CE1' ' O' ' 10' ' ' TYR . 28.6 mt -138.33 137.12 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.042 0.449 . . . . 0.0 111.25 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.13 126.69 20.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.304 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' ALA . . . . . 0.578 ' HB3' HD21 ' N' ' 6' ' ' LEU . . . -141.4 139.24 33.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.83 0.348 . . . . 0.0 111.741 -179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' LEU . . . . . 0.601 ' HB3' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -132.18 103.42 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.891 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' LEU . . . . . 0.738 HD12 ' HB3' ' F' ' 7' ' ' LEU . 0.0 OUTLIER -113.59 120.91 42.56 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.365 179.11 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.14 67.9 80.35 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.045 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 9' ' ' PRO . . . . . 0.532 ' HG2' ' HB3' ' F' ' 9' ' ' PRO . 39.1 Cg_endo -66.25 144.64 75.44 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.39 2.06 . . . . 0.0 111.591 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -130.93 139.99 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.88 . . . . 0.0 110.883 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 1' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.704 0.288 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.15 140.19 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.408 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 3' ' ' ILE . . . . . 0.41 HD11 ' CE1' ' P' ' 10' ' ' TYR . 30.9 mt -137.55 136.53 46.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.15 0.5 . . . . 0.0 111.371 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 4' ' ' ALA . . . . . . . . . . . . . . . -139.88 125.64 19.45 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.514 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 5' ' ' ALA . . . . . 0.549 ' HB3' HD21 ' O' ' 6' ' ' LEU . . . -141.18 138.87 33.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.042 0.449 . . . . 0.0 111.698 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.601 HD13 ' HB3' ' G' ' 6' ' ' LEU . 0.0 OUTLIER -131.81 103.12 6.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.833 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 7' ' ' LEU . . . . . 0.657 HD12 ' HB3' ' G' ' 7' ' ' LEU . 0.0 OUTLIER -114.4 120.8 41.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.357 179.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.31 68.11 80.81 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.783 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 9' ' ' PRO . . . . . 0.5 ' HG2' ' HB3' ' G' ' 9' ' ' PRO . 42.2 Cg_endo -66.65 142.72 65.33 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.34 2.027 . . . . 0.0 111.587 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -128.28 139.52 52.38 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.887 0.375 . . . . 0.0 111.569 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.877 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 1' ' ' TYR . . . . . 0.413 ' H3 ' ' HD1' ' J' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.729 0.3 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 2' ' ' THR . . . . . 0.537 HG21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -139.32 140.68 37.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.468 -179.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mt -137.98 136.78 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 111.628 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.56 121.63 14.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.64 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 5' ' ' ALA . . . . . . . . . . . . . . . -138.08 139.24 39.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 111.517 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 6' ' ' LEU . . . . . 0.615 ' HG ' ' CB ' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -131.73 104.9 7.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.219 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 7' ' ' LEU . . . . . 0.735 HD12 ' HB3' ' J' ' 7' ' ' LEU . 0.0 OUTLIER -113.72 120.89 42.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.178 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.9 68.23 80.5 Favored Pre-proline 0 C--O 1.231 0.107 0 CA-C-O 120.672 0.272 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 9' ' ' PRO . . . . . 0.55 ' HG2' ' HB3' ' J' ' 9' ' ' PRO . 37.5 Cg_endo -66.63 145.08 74.79 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.415 2.077 . . . . 0.0 112.059 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.511 ' HE2' ' HD2' ' B' ' 1' ' ' TYR . 11.1 m-85 -130.55 143.39 50.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.224 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 11' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' J' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 1' ' ' TYR . . . . . 0.505 ' H3 ' ' HD1' ' K' ' 1' ' ' TYR . 18.9 m-85 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.794 0.33 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 2' ' ' THR . . . . . 0.518 HG21 ' N ' ' B' ' 10' ' ' TYR . 0.2 OUTLIER -139.31 140.67 37.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.431 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mt -138.5 137.11 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.39 124.04 17.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.344 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.08 139.43 35.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.862 0.363 . . . . 0.0 111.289 -179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.643 HD13 ' HB3' ' K' ' 6' ' ' LEU . 0.0 OUTLIER -131.96 104.22 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 7' ' ' LEU . . . . . 0.735 ' HB3' HD12 ' I' ' 7' ' ' LEU . 0.0 OUTLIER -112.2 120.8 43.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.386 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.49 68.72 81.74 Favored Pre-proline 0 CA--C 1.528 0.125 0 CA-C-O 120.669 0.271 . . . . 0.0 110.999 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 9' ' ' PRO . . . . . 0.55 ' HB3' ' HG2' ' I' ' 9' ' ' PRO . 41.0 Cg_endo -67.76 145.29 68.64 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.546 2.164 . . . . 0.0 112.073 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.525 ' HE2' ' HD2' ' C' ' 1' ' ' TYR . 11.0 m-85 -130.89 144.37 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.992 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 11' ' ' SER . . . . . 0.479 ' HA ' ' HB3' ' I' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.826 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 1' ' ' TYR . . . . . 0.596 ' H3 ' ' HD1' ' L' ' 1' ' ' TYR . 19.6 m-85 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.766 0.317 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 2' ' ' THR . . . . . 0.548 HG21 ' H ' ' C' ' 10' ' ' TYR . 0.2 OUTLIER -139.49 140.75 37.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.482 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' K' K ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -138.82 137.08 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.369 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.65 123.97 16.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.232 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.46 139.46 35.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.872 0.368 . . . . 0.0 111.238 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 6' ' ' LEU . . . . . 0.643 ' HB3' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -132.33 104.06 6.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.089 -179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' K' K ' 7' ' ' LEU . . . . . 0.712 HD12 ' HB3' ' L' ' 7' ' ' LEU . 0.0 OUTLIER -111.87 120.79 43.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.474 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' K' K ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.24 68.77 81.55 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-O 120.695 0.283 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 9' ' ' PRO . . . . . 0.523 ' HG2' ' HA ' ' L' ' 9' ' ' PRO . 41.1 Cg_endo -67.84 145.38 68.43 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.472 2.115 . . . . 0.0 112.102 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 10' ' ' TYR . . . . . 0.52 ' HE2' ' HD2' ' D' ' 1' ' ' TYR . 11.1 m-85 -131.07 143.1 50.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.182 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 11' ' ' SER . . . . . 0.529 ' HB3' ' HA ' ' L' ' 11' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 1' ' ' TYR . . . . . 0.596 ' HD1' ' H3 ' ' K' ' 1' ' ' TYR . 19.0 m-85 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.723 0.296 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 2' ' ' THR . . . . . 0.53 HG21 ' H ' ' D' ' 10' ' ' TYR . 0.2 OUTLIER -139.54 140.64 37.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.404 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' L' L ' 3' ' ' ILE . . . . . . . . . . . . . 34.8 mt -139.05 137.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.375 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.78 123.98 16.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.294 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.98 139.43 36.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.306 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.631 ' HB3' HD13 ' K' ' 6' ' ' LEU . 0.0 OUTLIER -132.07 104.21 6.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.069 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' L' L ' 7' ' ' LEU . . . . . 0.731 HD12 ' HB3' ' M' ' 7' ' ' LEU . 0.0 OUTLIER -112.08 120.96 43.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.361 179.292 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' L' L ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.3 67.65 80.23 Favored Pre-proline 0 CA--C 1.529 0.136 0 CA-C-O 120.624 0.249 . . . . 0.0 110.98 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 9' ' ' PRO . . . . . 0.598 ' HG2' ' HB3' ' M' ' 9' ' ' PRO . 37.5 Cg_endo -66.55 145.59 76.88 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.566 2.177 . . . . 0.0 112.134 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 10' ' ' TYR . . . . . 0.498 ' HE2' ' HD2' ' E' ' 1' ' ' TYR . 11.2 m-85 -132.05 143.53 50.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.981 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 11' ' ' SER . . . . . 0.529 ' HA ' ' HB3' ' K' ' 11' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.846 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 1' ' ' TYR . . . . . 0.709 ' H3 ' ' HD1' ' N' ' 1' ' ' TYR . 19.1 m-85 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 2' ' ' THR . . . . . 0.47 HG21 ' H ' ' E' ' 10' ' ' TYR . 0.2 OUTLIER -139.6 140.72 37.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.395 -179.671 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' M' M ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -140.0 137.11 38.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.125 0.488 . . . . 0.0 111.433 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 4' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' N' ' 4' ' ' ALA . . . -140.74 124.57 17.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.3 179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.45 139.58 35.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.78 0.324 . . . . 0.0 111.281 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' M' M ' 6' ' ' LEU . . . . . 0.626 ' O ' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -132.28 104.01 6.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' M' M ' 7' ' ' LEU . . . . . 0.731 ' HB3' HD12 ' L' ' 7' ' ' LEU . 0.0 OUTLIER -112.35 120.67 42.51 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' M' M ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.56 68.69 81.77 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.682 0.277 . . . . 0.0 111.055 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 9' ' ' PRO . . . . . 0.598 ' HB3' ' HG2' ' L' ' 9' ' ' PRO . 38.2 Cg_endo -67.23 145.64 73.13 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.575 2.183 . . . . 0.0 112.14 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 10' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' F' ' 1' ' ' TYR . 11.2 m-85 -131.93 143.2 49.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.806 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' M' M ' 11' ' ' SER . . . . . 0.431 ' HA ' ' HB3' ' L' ' 11' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.834 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 1' ' ' TYR . . . . . 0.716 ' H3 ' ' HD1' ' O' ' 1' ' ' TYR . 20.2 m-85 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.745 0.307 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 2' ' ' THR . . . . . 0.442 ' CG2' ' HB2' ' G' ' 9' ' ' PRO . 0.2 OUTLIER -139.48 140.64 37.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.564 -179.528 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 3' ' ' ILE . . . . . . . . . . . . . 35.9 mt -140.28 137.06 37.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.114 0.483 . . . . 0.0 111.575 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 4' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' M' ' 4' ' ' ALA . . . -140.84 124.36 16.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.427 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.09 139.44 35.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 111.377 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' N' N ' 6' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' M' ' 6' ' ' LEU . 0.0 OUTLIER -132.15 104.67 6.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.052 -179.815 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 7' ' ' LEU . . . . . 0.701 ' HB3' HD12 ' M' ' 7' ' ' LEU . 0.0 OUTLIER -113.21 120.65 41.95 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 179.296 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' N' N ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.95 67.72 79.9 Favored Pre-proline 0 C--O 1.232 0.153 0 CA-C-O 120.665 0.269 . . . . 0.0 110.952 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 9' ' ' PRO . . . . . 0.532 ' HA ' ' HG2' ' M' ' 9' ' ' PRO . 37.1 Cg_endo -66.36 145.48 77.67 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.468 2.112 . . . . 0.0 112.093 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 10' ' ' TYR . . . . . 0.489 ' CE1' HD11 ' F' ' 3' ' ' ILE . 11.4 m-85 -132.21 142.94 49.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' N' N ' 11' ' ' SER . . . . . 0.496 ' HB3' ' HA ' ' O' ' 11' ' ' SER . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' O' O ' 1' ' ' TYR . . . . . 0.716 ' HD1' ' H3 ' ' N' ' 1' ' ' TYR . 21.0 m-85 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.736 0.303 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 2' ' ' THR . . . . . 0.5 HG22 ' HB2' ' H' ' 9' ' ' PRO . 0.2 OUTLIER -139.27 140.76 37.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.732 -179.434 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' O' O ' 3' ' ' ILE . . . . . . . . . . . . . 36.3 mt -141.2 136.75 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.087 0.47 . . . . 0.0 111.515 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 4' ' ' ALA . . . . . 0.405 ' HB1' HD12 ' H' ' 7' ' ' LEU . . . -140.75 124.42 17.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.392 179.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' O' O ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.97 139.51 36.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.846 0.355 . . . . 0.0 111.444 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' O' O ' 6' ' ' LEU . . . . . 0.607 HD13 ' O ' ' P' ' 6' ' ' LEU . 0.0 OUTLIER -132.0 104.69 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.068 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' O' O ' 7' ' ' LEU . . . . . 0.7 ' HB3' HD12 ' N' ' 7' ' ' LEU . 0.0 OUTLIER -113.29 120.63 41.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.601 0.239 . . . . 0.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' O' O ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.05 68.21 80.65 Favored Pre-proline 0 C--O 1.231 0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' O' O ' 9' ' ' PRO . . . . . 0.575 ' HG2' ' HB3' ' P' ' 9' ' ' PRO . 37.2 Cg_endo -66.6 145.62 76.74 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.594 2.196 . . . . 0.0 112.018 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' O' O ' 10' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' G' ' 3' ' ' ILE . 11.8 m-85 -132.77 142.74 49.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.777 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' O' O ' 11' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' N' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 1' ' ' TYR . . . . . 0.629 ' HD1' ' H3 ' ' O' ' 1' ' ' TYR . 20.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 140.77 38.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.368 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 3' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.23 137.51 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.294 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 4' ' ' ALA . . . . . . . . . . . . . . . -140.16 123.72 17.15 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.302 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.83 139.35 36.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.695 0.283 . . . . 0.0 111.52 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 6' ' ' LEU . . . . . 0.607 ' O ' HD13 ' O' ' 6' ' ' LEU . 0.0 OUTLIER -131.59 107.21 8.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.858 179.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 7' ' ' LEU . . . . . 0.67 ' HB3' HD12 ' O' ' 7' ' ' LEU . 0.0 OUTLIER -114.26 120.71 41.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.458 179.461 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' P' P ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.75 70.2 82.48 Favored Pre-proline 0 C--O 1.232 0.156 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 9' ' ' PRO . . . . . 0.575 ' HB3' ' HG2' ' O' ' 9' ' ' PRO . 46.9 Cg_endo -68.9 145.17 61.29 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.557 2.172 . . . . 0.0 112.14 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 10' ' ' TYR . . . . . 0.41 ' CE1' HD11 ' H' ' 3' ' ' ILE . 13.0 m-85 -132.8 143.13 49.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.725 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 11' ' ' SER . . . . . 0.492 ' HA ' ' HB3' ' O' ' 11' ' ' SER . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 stop_ save_